Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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Sodium Salicylate, 99%, Thermo Scientific Chemicals

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

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PubChem CID	16760658
CAS	54-21-7
Molecular Weight (g/mol)	160.104
ChEBI	CHEBI:9180
MDL Number	MFCD00002440
SMILES	C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym	sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name	sodium;2-hydroxybenzoate
InChI Key	ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula	C7H5NaO3

Benzyl alcohol, 99%, Thermo Scientific Chemicals

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

Benzyl bromide, 99%, Thermo Scientific Chemicals

CAS: 100-39-0 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.037 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr

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PubChem CID	7498
CAS	100-39-0
Molecular Weight (g/mol)	171.037
ChEBI	CHEBI:59858
MDL Number	MFCD00000172
SMILES	C1=CC=C(C=C1)CBr
Synonym	benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite
IUPAC Name	bromomethylbenzene
InChI Key	AGEZXYOZHKGVCM-UHFFFAOYSA-N
Molecular Formula	C7H7Br

Benzyl alcohol, ACS, 99+%, Thermo Scientific Chemicals

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PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

Phthaldialdehyde, 98%, Thermo Scientific Chemicals

CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 IUPAC Name: phthalaldehyde SMILES: O=CC1=CC=CC=C1C=O

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PubChem CID	4807
CAS	643-79-8
Molecular Weight (g/mol)	134.13
ChEBI	CHEBI:70851
MDL Number	MFCD00003335
SMILES	O=CC1=CC=CC=C1C=O
Synonym	o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde
IUPAC Name	phthalaldehyde
InChI Key	ZWLUXSQADUDCSB-UHFFFAOYSA-N
Molecular Formula	C8H6O2

sym-Diphenylcarbazide, 98%, ACS reagent, Thermo Scientific Chemicals

CAS: 140-22-7 Molecular Formula: C₁₃H₁₄N₄O Molecular Weight (g/mol): 242.28 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

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PubChem CID	8789
CAS	140-22-7
Molecular Weight (g/mol)	242.28
ChEBI	CHEBI:4641
SMILES	C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
Synonym	1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl
IUPAC Name	1,3-dianilinourea
InChI Key	KSPIHGBHKVISFI-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₄N₄O

2,6-Di-tert-butyl-4-methylphenol, 99.8%, Thermo Scientific Chemicals

CAS: 128-37-0 Molecular Formula: C₁₅H₂₄O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

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PubChem CID	31404
CAS	128-37-0
Molecular Weight (g/mol)	220.35
ChEBI	CHEBI:34247
MDL Number	MFCD00011644
SMILES	CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym	2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name	2,6-ditert-butyl-4-methylphenol
InChI Key	NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula	C₁₅H₂₄O

Triphenylphosphine, 99+%, Thermo Scientific Chemicals

CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	11776
CAS	603-35-0
Molecular Weight (g/mol)	262.29
MDL Number	MFCD00003043 MFCD20489348
SMILES	C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin
IUPAC Name	triphenylphosphane
InChI Key	RIOQSEWOXXDEQQ-UHFFFAOYSA-N
Molecular Formula	C18H15P

3-Chloroperoxybenzoic acid, 70-75%, balance 3-Chlorobenzoic acid and water, Thermo Scientific Chemicals

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5

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Linear Formula	ClC₆H₄CO₃H
Molecular Weight (g/mol)	172.56
ChEBI	CHEBI:52091
CAS Min %	25.0
InChI Key	NHQDETIJWKXCTC-UHFFFAOYSA-N
Density	0.5600g/mL
PubChem CID	70297
Name Note	70 - 75%
Percent Purity	70-75%
Fieser	01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
RTECS Number	SD9470000
Formula Weight	172.57
Melting Point	92.0°C to 94.0°C
CAS Max %	30.0
Color	White
Physical Form	Moist Powder
SMILES	OOC(=O)C1=CC=CC(Cl)=C1
Merck Index	15,2154
Assay Percent Range	di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
CAS	7732-18-5
Health Hazard 3	GHS P Statement Wear protective gloves/protective clothing/eye protection/face protection. Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Keep/Store away from clothing/ combustible materials. IF SWALLOWED: rin
MDL Number	MFCD00002127
Health Hazard 2	GHS H Statement Causes severe skin burns and eye damage. Harmful if swallowed. Heating may cause a fire.
Solubility Information	Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Health Hazard 1	GHS Signal Word: Danger
Synonym	3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
TSCA	TSCA
IUPAC Name	3-chlorobenzenecarboperoxoic acid
Beilstein	09,IV,972
Molecular Formula	C7H5ClO3
EINECS Number	213-322-3
Specific Gravity	0.56

2-Phenoxyethanol, 99%, Thermo Scientific Chemicals

CAS: 122-99-6 Molecular Formula: C₈H₁₀O₂ Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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PubChem CID	31236
CAS	122-99-6
Molecular Weight (g/mol)	138.17
ChEBI	CHEBI:64275
MDL Number	MFCD00002857
SMILES	C1=CC=C(C=C1)OCCO
Synonym	phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name	2-phenoxyethanol
InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀O₂

1,5-Diphenylcarbazide, ACS, Thermo Scientific Chemicals

CAS: 140-22-7 Molecular Formula: C13H14N4O Molecular Weight (g/mol): 242.282 MDL Number: MFCD00003013 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

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PubChem CID	8789
CAS	140-22-7
Molecular Weight (g/mol)	242.282
ChEBI	CHEBI:4641
MDL Number	MFCD00003013
SMILES	C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
Synonym	1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl
IUPAC Name	1,3-dianilinourea
InChI Key	KSPIHGBHKVISFI-UHFFFAOYSA-N
Molecular Formula	C13H14N4O

Tetrakis(triphenylphosphine)palladium(0), 99%, Thermo Scientific Chemicals

CAS: 14221-01-3 Molecular Formula: C72H60P4Pd Molecular Weight (g/mol): 1155.59 MDL Number: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N Synonym: tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4 PubChem CID: 11979704 IUPAC Name: palladium;triphenylphosphane SMILES: [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	11979704
CAS	14221-01-3
Molecular Weight (g/mol)	1155.59
MDL Number	MFCD00010012
SMILES	[Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4
IUPAC Name	palladium;triphenylphosphane
InChI Key	NFHFRUOZVGFOOS-UHFFFAOYSA-N
Molecular Formula	C72H60P4Pd

Terephthalic acid, 99+%, Thermo Scientific Chemicals

CAS: 100-21-0 Molecular Formula: C₈H₆O₄ Molecular Weight (g/mol): 166.13 MDL Number: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonym: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene PubChem CID: 7489 ChEBI: CHEBI:15702 IUPAC Name: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

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PubChem CID	7489
CAS	100-21-0
Molecular Weight (g/mol)	166.13
ChEBI	CHEBI:15702
MDL Number	MFCD00002558
SMILES	C1=CC(=CC=C1C(=O)O)C(=O)O
Synonym	p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene
IUPAC Name	terephthalic acid
InChI Key	KKEYFWRCBNTPAC-UHFFFAOYSA-N
Molecular Formula	C₈H₆O₄

Dithizone, 98%, Thermo Scientific Chemicals

CAS: 60-10-6 Molecular Formula: C13H12N4S Molecular Weight (g/mol): 256.33 MDL Number: MFCD00003025 InChI Key: UOFGSWVZMUXXIY-UHFFFAOYSA-N Synonym: dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone PubChem CID: 657262 SMILES: S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1

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PubChem CID	657262
CAS	60-10-6
Molecular Weight (g/mol)	256.33
MDL Number	MFCD00003025
SMILES	S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1
Synonym	dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone
InChI Key	UOFGSWVZMUXXIY-UHFFFAOYSA-N
Molecular Formula	C13H12N4S

o-Tolidine, 98%, Thermo Scientific Chemicals

CAS: 119-93-7 Molecular Formula: C14H16N2 Molecular Weight (g/mol): 212.296 MDL Number: MFCD00014773 InChI Key: NUIURNJTPRWVAP-UHFFFAOYSA-N Synonym: o-tolidine,3,3'-dimethylbenzidine,orthotolidine,diaminoditolyl,2-tolidine,diaminotolyl,bianisidine,3,3'-tolidine,3,3'-dimethylbiphenyl-4,4'-diamine,4,4'-bi-o-toluidine PubChem CID: 8413 ChEBI: CHEBI:34320 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N

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PubChem CID	8413
CAS	119-93-7
Molecular Weight (g/mol)	212.296
ChEBI	CHEBI:34320
MDL Number	MFCD00014773
SMILES	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
Synonym	o-tolidine,3,3'-dimethylbenzidine,orthotolidine,diaminoditolyl,2-tolidine,diaminotolyl,bianisidine,3,3'-tolidine,3,3'-dimethylbiphenyl-4,4'-diamine,4,4'-bi-o-toluidine
IUPAC Name	4-(4-amino-3-methylphenyl)-2-methylaniline
InChI Key	NUIURNJTPRWVAP-UHFFFAOYSA-N
Molecular Formula	C14H16N2

Benzene and substituted derivatives

Benzene and substituted derivatives

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