Benzene and substituted derivatives

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.
Benzoyl derivatives (58)
Benzoic acid esters (55)
Benzyl Derivatives (51)
Phenylpropanes (38)
Hydroxybenzoic Acid Derivatives (35)
Diphenylmethanes (29)
Benzenesulfonamides (27)
Methoxybenzenes (26)
Benzophenones (25)
Phenoxy compounds (23)
Aminotoluenes (18)
Aminobenzoic acids and derivatives (16)
Aniline and substituted anilines (13)
Phenylhydrazines (11)
Phenylphosphines and derivatives (11)
Anilides (10)
Benzamides (9)
Benzenesulfonic acids and derivatives (9)
Phenoxides (9)
Sulfanylbenzoic acids and derivatives (9)
Acetophenones (8)
Fluorobenzenes (8)
Benzoyl peroxides (7)
Methoxybenzoic acids and derivatives (7)
Nitrobenzenes (7)
Phenylpyruvic acid derivatives (7)
Diphenylethers (6)
Phenylbutylamines (6)
Phenylacetamides (5)
Phenylmethylamines (5)
Nitrobenzoic acids and derivatives (4)
Phthalic acid and derivatives (3)
2-phenoxypropionic acids (2)
Bromobenzenes (2)
Iodobenzenes (2)
Nitrotoluenes (2)
N-phenylthioureas (2)
Terphenyls (2)
Benzenesulfonyl compounds (1)
Cumenes (1)
Toluamides (1)

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1 – 30 of 177 results
1

Albuterol Sulfate, USP, 98.5-101%, Spectrum™ Chemical
SDP

CAS: 51022-70-9 Molecular Formula: C26H44N2O10S Molecular Weight (g/mol): 576.70 InChI Key: BNPSSFBOAGDEEL-UHFFFAOYNA-N IUPAC Name: bis(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol); sulfuric acid SMILES: OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1

CAS 51022-70-9
Molecular Weight (g/mol) 576.70
SMILES OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1
IUPAC Name bis(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol); sulfuric acid
InChI Key BNPSSFBOAGDEEL-UHFFFAOYNA-N
Molecular Formula C26H44N2O10S
2

Pyruvic Acid, 95-100%, Spectrum™ Chemical
SDP

CAS: 127-17-3

CAS 127-17-3
3

Glyburide, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 10238-21-8 Molecular Formula: C23H28ClN3O5S Molecular Weight (g/mol): 494.00 InChI Key: ZNNLBTZKUZBEKO-UHFFFAOYSA-N IUPAC Name: 5-chloro-N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-2-methoxybenzamide SMILES: COC1=CC=C(Cl)C=C1C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1

CAS 10238-21-8
Molecular Weight (g/mol) 494.00
SMILES COC1=CC=C(Cl)C=C1C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1
IUPAC Name 5-chloro-N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-2-methoxybenzamide
InChI Key ZNNLBTZKUZBEKO-UHFFFAOYSA-N
Molecular Formula C23H28ClN3O5S
4

Ketoprofen, USP, 98.5-101%, Spectrum™ Chemical
SDP

CAS: 22071-15-4 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.29 InChI Key: DKYWVDODHFEZIM-UHFFFAOYNA-N IUPAC Name: 2-(3-benzoylphenyl)propanoic acid SMILES: CC(C(O)=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1

CAS 22071-15-4
Molecular Weight (g/mol) 254.29
SMILES CC(C(O)=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1
IUPAC Name 2-(3-benzoylphenyl)propanoic acid
InChI Key DKYWVDODHFEZIM-UHFFFAOYNA-N
Molecular Formula C16H14O3
5

Mesalamine, USP, 98.5-101.5%, Spectrum™ Chemical
SDP

CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: NC1=CC=C(O)C(=C1)C(O)=O

CAS 89-57-6
Molecular Weight (g/mol) 153.14
SMILES NC1=CC=C(O)C(=C1)C(O)=O
IUPAC Name 5-amino-2-hydroxybenzoic acid
InChI Key KBOPZPXVLCULAV-UHFFFAOYSA-N
Molecular Formula C7H7NO3
6

Mefenamic Acid, BP, 99-101%, Spectrum™ Chemical
SDP

CAS: 61-68-7 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 InChI Key: HYYBABOKPJLUIN-UHFFFAOYSA-N IUPAC Name: 2-[(2,3-dimethylphenyl)amino]benzoic acid SMILES: CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C

CAS 61-68-7
Molecular Weight (g/mol) 241.29
SMILES CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C
IUPAC Name 2-[(2,3-dimethylphenyl)amino]benzoic acid
InChI Key HYYBABOKPJLUIN-UHFFFAOYSA-N
Molecular Formula C15H15NO2
7

Methyl Salicylate, FCC, 98%, Spectrum™ Chemical
SDP

CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O

CAS 119-36-8
Molecular Weight (g/mol) 152.15
SMILES COC(=O)C1=CC=CC=C1O
IUPAC Name methyl 2-hydroxybenzoate
InChI Key OSWPMRLSEDHDFF-UHFFFAOYSA-N
Molecular Formula C8H8O3
8

Methylparaben Sodium, NF, 95-102%, Spectrum™ Chemical
SDP

CAS: 5026-62-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.13 InChI Key: PESXGULMKCKJCC-UHFFFAOYSA-M IUPAC Name: sodium 4-(methoxycarbonyl)benzen-1-olate SMILES: [Na+].COC(=O)C1=CC=C([O-])C=C1

CAS 5026-62-0
Molecular Weight (g/mol) 174.13
SMILES [Na+].COC(=O)C1=CC=C([O-])C=C1
IUPAC Name sodium 4-(methoxycarbonyl)benzen-1-olate
InChI Key PESXGULMKCKJCC-UHFFFAOYSA-M
Molecular Formula C8H7NaO3
9

Metoclopramide Hydrochloride, Monohydrate, USP, 98-101%, Spectrum™ Chemical
SDP

CAS: 54143-57-6 Molecular Formula: C14H25Cl2N3O3 Molecular Weight (g/mol): 354.27 MDL Number: MFCD00150634 InChI Key: KJBLQGHJOCAOJP-UHFFFAOYSA-N IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride SMILES: O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC

CAS 54143-57-6
Molecular Weight (g/mol) 354.27
MDL Number MFCD00150634
SMILES O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
IUPAC Name 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride
InChI Key KJBLQGHJOCAOJP-UHFFFAOYSA-N
Molecular Formula C14H25Cl2N3O3
10

Phenoxyethanol, Reagent, 99%, Spectrum™ Chemical
SDP

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N IUPAC Name: 2-phenoxyethan-1-ol SMILES: OCCOC1=CC=CC=C1

CAS 122-99-6
Molecular Weight (g/mol) 138.17
SMILES OCCOC1=CC=CC=C1
IUPAC Name 2-phenoxyethan-1-ol
InChI Key QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula C8H10O2
11

Phenylhydrazine Hydrochloride, Crystal, Reagent, 98.5-101.5%, Spectrum™ Chemical
SDP

CAS: 59-88-1 Molecular Formula: C6H9ClN2 Molecular Weight (g/mol): 144.60 MDL Number: MFCD00012924 InChI Key: JOVOSQBPPZZESK-UHFFFAOYSA-N IUPAC Name: hydrogen phenylhydrazine chloride SMILES: [H+].[Cl-].NNC1=CC=CC=C1

CAS 59-88-1
Molecular Weight (g/mol) 144.60
MDL Number MFCD00012924
SMILES [H+].[Cl-].NNC1=CC=CC=C1
IUPAC Name hydrogen phenylhydrazine chloride
InChI Key JOVOSQBPPZZESK-UHFFFAOYSA-N
Molecular Formula C6H9ClN2
12

Sulfasalazine, USP, 97-101.5%, Spectrum™ Chemical
SDP

CAS: 599-79-1 Molecular Formula: C18H14N4O5S Molecular Weight (g/mol): 398.39 InChI Key: OQANPHBRHBJGNZ-BKUYFWCQSA-N IUPAC Name: (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid SMILES: OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1

CAS 599-79-1
Molecular Weight (g/mol) 398.39
SMILES OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
IUPAC Name (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid
InChI Key OQANPHBRHBJGNZ-BKUYFWCQSA-N
Molecular Formula C18H14N4O5S
13

Triclosan, USP, 97-103%, Spectrum™ Chemical
SDP

14

Verapamil Hydrochloride, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.07 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYNA-N IUPAC Name: hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride SMILES: [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC

CAS 152-11-4
Molecular Weight (g/mol) 491.07
SMILES [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC
IUPAC Name hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYNA-N
Molecular Formula C27H39ClN2O4
15

Xylometazoline Hydrochloride, Spectrum™ Chemical
SDP

CAS: 1218-35-5 Molecular Formula: C16H25ClN2 Molecular Weight (g/mol): 280.84 InChI Key: YGWFCQYETHJKNX-UHFFFAOYSA-N IUPAC Name: hydrogen 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole chloride SMILES: [H+].[Cl-].CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C