Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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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

Phenol, ACS, 99+%, stab., Thermo Scientific Chemicals

CAS: 108-95-2 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.11 MDL Number: MFCD00002143 InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N Synonym: carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol PubChem CID: 996 ChEBI: CHEBI:15882 IUPAC Name: phenol SMILES: OC1=CC=CC=C1

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PubChem CID	996
CAS	108-95-2
Molecular Weight (g/mol)	94.11
ChEBI	CHEBI:15882
MDL Number	MFCD00002143
SMILES	OC1=CC=CC=C1
Synonym	carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol
IUPAC Name	phenol
InChI Key	ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Molecular Formula	C6H6O

Phenol, 99+%, for biochemistry, loose crystals, Thermo Scientific Chemicals

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PubChem CID	996
CAS	108-95-2
Molecular Weight (g/mol)	94.11
ChEBI	CHEBI:15882
MDL Number	MFCD00002143
SMILES	OC1=CC=CC=C1
Synonym	carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol
IUPAC Name	phenol
InChI Key	ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Molecular Formula	C6H6O

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

1-Naphthol, 99%, Thermo Scientific Chemicals

CAS: 90-15-3 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.173 MDL Number: MFCD00003930 InChI Key: KJCVRFUGPWSIIH-UHFFFAOYSA-N Synonym: 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern PubChem CID: 7005 ChEBI: CHEBI:10319 IUPAC Name: naphthalen-1-ol SMILES: C1=CC=C2C(=C1)C=CC=C2O

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PubChem CID	7005
CAS	90-15-3
Molecular Weight (g/mol)	144.173
ChEBI	CHEBI:10319
MDL Number	MFCD00003930
SMILES	C1=CC=C2C(=C1)C=CC=C2O
Synonym	1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern
IUPAC Name	naphthalen-1-ol
InChI Key	KJCVRFUGPWSIIH-UHFFFAOYSA-N
Molecular Formula	C10H8O

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

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

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

Catechol, 99+%, Thermo Scientific Chemicals

CAS: 120-80-9 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.11 MDL Number: MFCD00002188 InChI Key: YCIMNLLNPGFGHC-UHFFFAOYSA-N Synonym: pyrocatechol,catechol,1,2-dihydroxybenzene,1,2-benzenediol,pyrocatechin,2-hydroxyphenol,o-benzenediol,pyrocatechine,o-dihydroxybenzene,o-dioxybenzene PubChem CID: 289 ChEBI: CHEBI:18135 IUPAC Name: benzene-1,2-diol SMILES: OC1=CC=CC=C1O

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PubChem CID	289
CAS	120-80-9
Molecular Weight (g/mol)	110.11
ChEBI	CHEBI:18135
MDL Number	MFCD00002188
SMILES	OC1=CC=CC=C1O
Synonym	pyrocatechol,catechol,1,2-dihydroxybenzene,1,2-benzenediol,pyrocatechin,2-hydroxyphenol,o-benzenediol,pyrocatechine,o-dihydroxybenzene,o-dioxybenzene
IUPAC Name	benzene-1,2-diol
InChI Key	YCIMNLLNPGFGHC-UHFFFAOYSA-N
Molecular Formula	C6H6O2

4-Aminophenol, 98%, Thermo Scientific Chemicals

CAS: 123-30-8 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00007869 InChI Key: PLIKAWJENQZMHA-UHFFFAOYSA-N Synonym: p-aminophenol,4-hydroxyaniline,p-hydroxyaniline,phenol, 4-amino,paranol,4-aminobenzenol,certinal,citol,azol,fouramine p PubChem CID: 403 ChEBI: CHEBI:17602 IUPAC Name: 4-aminophenol SMILES: C1=CC(=CC=C1N)O

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PubChem CID	403
CAS	123-30-8
Molecular Weight (g/mol)	109.128
ChEBI	CHEBI:17602
MDL Number	MFCD00007869
SMILES	C1=CC(=CC=C1N)O
Synonym	p-aminophenol,4-hydroxyaniline,p-hydroxyaniline,phenol, 4-amino,paranol,4-aminobenzenol,certinal,citol,azol,fouramine p
IUPAC Name	4-aminophenol
InChI Key	PLIKAWJENQZMHA-UHFFFAOYSA-N
Molecular Formula	C6H7NO

3,5-Dinitrosalicylic acid, 98%, Thermo Scientific Chemicals

CAS: 609-99-4 Molecular Formula: C₇H₄N₂O₇ Molecular Weight (g/mol): 228.12 MDL Number: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Synonym: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]

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PubChem CID	11873
CAS	609-99-4
Molecular Weight (g/mol)	228.12
ChEBI	CHEBI:53648
MDL Number	MFCD00007104
SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
Synonym	3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid
InChI Key	LWFUFLREGJMOIZ-UHFFFAOYSA-N
Molecular Formula	C₇H₄N₂O₇

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

Phenol, detached crystals, 99+%, Thermo Scientific Chemicals

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PubChem CID	996
CAS	108-95-2
Molecular Weight (g/mol)	94.11
ChEBI	CHEBI:15882
MDL Number	MFCD00002143
SMILES	OC1=CC=CC=C1
Synonym	carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol
IUPAC Name	phenol
InChI Key	ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Molecular Formula	C6H6O

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