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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.
Benzoic acid esters (19)
Hydroxybenzoic Acid Derivatives (17)
Phenylpropenes (6)
Aminobenzoic acids and derivatives (5)
Benzyl Derivatives (5)
Aniline and substituted anilines (4)
Benzophenones (3)
Fluorobenzenes (3)
Styrenes (3)
Aminotoluenes (2)
Benzoyl derivatives (1)
Bromobenzenes (1)
Diphenylethers (1)
Phenoxy compounds (1)
Phenylphosphines and derivatives (1)

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1

Pentafluorobenzoic Acid 98.0+%, TCI America™

CAS: 602-94-8 Molecular Formula: C7HF5O2 Molecular Weight (g/mol): 212.08 MDL Number: MFCD00002406 InChI Key: YZERDTREOUSUHF-UHFFFAOYSA-N Synonym: pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017 PubChem CID: 11770 ChEBI: CHEBI:46796 IUPAC Name: pentafluorobenzoic acid SMILES: OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F

PubChem CID 11770
CAS 602-94-8
Molecular Weight (g/mol) 212.08
ChEBI CHEBI:46796
MDL Number MFCD00002406
SMILES OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
Synonym pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017
IUPAC Name pentafluorobenzoic acid
InChI Key YZERDTREOUSUHF-UHFFFAOYSA-N
Molecular Formula C7HF5O2
2

Butyl 4-Hydroxybenzoate 99.0+%, TCI America™

CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00016478 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N Synonym: butylparaben,butyl paraben,butyl p-hydroxybenzoate,nipabutyl,butoben,butyl chemosept,butyl parasept,butyl tegosept,butyl butex,tegosept butyl PubChem CID: 7184 IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)O

PubChem CID 7184
CAS 94-26-8
Molecular Weight (g/mol) 194.23
MDL Number MFCD00016478
SMILES CCCCOC(=O)C1=CC=C(C=C1)O
Synonym butylparaben,butyl paraben,butyl p-hydroxybenzoate,nipabutyl,butoben,butyl chemosept,butyl parasept,butyl tegosept,butyl butex,tegosept butyl
IUPAC Name butyl 4-hydroxybenzoate
InChI Key QFOHBWFCKVYLES-UHFFFAOYSA-N
Molecular Formula C11H14O3
3

Benzyl 4-Hydroxybenzoate 98.0+%, TCI America™

CAS: 94-18-8 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00016471 InChI Key: MOZDKDIOPSPTBH-UHFFFAOYSA-N Synonym: benzylparaben,benzyl p-hydroxybenzoate,nipabenzyl,parosept,benzyl paraben,benzyl parasept,benzyl tegosept,solbrol z,benzyl-parasept,p-hydroxybenzoic acid benzyl ester PubChem CID: 7180 ChEBI: CHEBI:34571 IUPAC Name: benzyl 4-hydroxybenzoate SMILES: OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1

PubChem CID 7180
CAS 94-18-8
Molecular Weight (g/mol) 228.25
ChEBI CHEBI:34571
MDL Number MFCD00016471
SMILES OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1
Synonym benzylparaben,benzyl p-hydroxybenzoate,nipabenzyl,parosept,benzyl paraben,benzyl parasept,benzyl tegosept,solbrol z,benzyl-parasept,p-hydroxybenzoic acid benzyl ester
IUPAC Name benzyl 4-hydroxybenzoate
InChI Key MOZDKDIOPSPTBH-UHFFFAOYSA-N
Molecular Formula C14H12O3
4

4-Bromobenzaldehyde Diethyl Acetal 97.0+%, TCI America™

CAS: 34421-94-8 Molecular Formula: C11H15BrO2 Molecular Weight (g/mol): 259.14 MDL Number: MFCD01863514 InChI Key: BFSNEBVTOODGHZ-UHFFFAOYSA-N Synonym: 4-bromobenzaldehyde diethyl acetal,1-bromo-4-diethoxymethyl benzene,4-bromobenzaldehydediethylacetal,benzene, 1-bromo-4-diethoxymethyl,4-bromophenyl diethoxymethane,4-bromobenzaldehyde diethylacetal,4-bromo-alpha,alpha-diethoxytoluene,pubchem5372,acmc-1aigt,4-bromobenzaldehydediethyl acetal PubChem CID: 688340 IUPAC Name: 1-bromo-4-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=C(Br)C=C1

PubChem CID 688340
CAS 34421-94-8
Molecular Weight (g/mol) 259.14
MDL Number MFCD01863514
SMILES CCOC(OCC)C1=CC=C(Br)C=C1
Synonym 4-bromobenzaldehyde diethyl acetal,1-bromo-4-diethoxymethyl benzene,4-bromobenzaldehydediethylacetal,benzene, 1-bromo-4-diethoxymethyl,4-bromophenyl diethoxymethane,4-bromobenzaldehyde diethylacetal,4-bromo-alpha,alpha-diethoxytoluene,pubchem5372,acmc-1aigt,4-bromobenzaldehydediethyl acetal
IUPAC Name 1-bromo-4-(diethoxymethyl)benzene
InChI Key BFSNEBVTOODGHZ-UHFFFAOYSA-N
Molecular Formula C11H15BrO2
5

Sodium p-Styrenesulfonate Hydrate 93.0+%, TCI America™

CAS: 123333-94-8 Molecular Formula: C8H9NaO4S Molecular Weight (g/mol): 224.21 MDL Number: MFCD03092905 InChI Key: AATHLPHPRXGBAI-UHFFFAOYSA-M Synonym: p-Styrenesulfonic Acid Sodium Salt PubChem CID: 23681144 IUPAC Name: sodium 4-ethenylbenzene-1-sulfonate hydrate SMILES: O.[Na+].[O-]S(=O)(=O)C1=CC=C(C=C)C=C1

PubChem CID 23681144
CAS 123333-94-8
Molecular Weight (g/mol) 224.21
MDL Number MFCD03092905
SMILES O.[Na+].[O-]S(=O)(=O)C1=CC=C(C=C)C=C1
Synonym p-Styrenesulfonic Acid Sodium Salt
IUPAC Name sodium 4-ethenylbenzene-1-sulfonate hydrate
InChI Key AATHLPHPRXGBAI-UHFFFAOYSA-M
Molecular Formula C8H9NaO4S
6

N-Ethyl-o-toluidine 98.0+%, TCI America™

CAS: 94-68-8 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00026695 InChI Key: MWOUGPLLVVEUMM-UHFFFAOYSA-N Synonym: n-ethyl-o-toluidine,2-ethylamino toluene,2-ethylaminotoluene,benzenamine, n-ethyl-2-methyl,o-methyl-n-ethylaniline,1-ethylamino-2-methylbenzene,n-ethyl-2-methyl-aniline,n-ethyl-2-aminotoluene,o-toluidine, n-ethyl,n-ethyl-2-toluidine PubChem CID: 7201 IUPAC Name: N-ethyl-2-methylaniline SMILES: CCNC1=CC=CC=C1C

PubChem CID 7201
CAS 94-68-8
Molecular Weight (g/mol) 135.21
MDL Number MFCD00026695
SMILES CCNC1=CC=CC=C1C
Synonym n-ethyl-o-toluidine,2-ethylamino toluene,2-ethylaminotoluene,benzenamine, n-ethyl-2-methyl,o-methyl-n-ethylaniline,1-ethylamino-2-methylbenzene,n-ethyl-2-methyl-aniline,n-ethyl-2-aminotoluene,o-toluidine, n-ethyl,n-ethyl-2-toluidine
IUPAC Name N-ethyl-2-methylaniline
InChI Key MWOUGPLLVVEUMM-UHFFFAOYSA-N
Molecular Formula C9H13N
7

Butyl 4-Hydroxybenzoate 99.0+%, TCI America™

CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00016478 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N Synonym: butylparaben,butyl paraben,butyl p-hydroxybenzoate,nipabutyl,butoben,butyl chemosept,butyl parasept,butyl tegosept,butyl butex,tegosept butyl PubChem CID: 7184 IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)O

PubChem CID 7184
CAS 94-26-8
Molecular Weight (g/mol) 194.23
MDL Number MFCD00016478
SMILES CCCCOC(=O)C1=CC=C(C=C1)O
Synonym butylparaben,butyl paraben,butyl p-hydroxybenzoate,nipabutyl,butoben,butyl chemosept,butyl parasept,butyl tegosept,butyl butex,tegosept butyl
IUPAC Name butyl 4-hydroxybenzoate
InChI Key QFOHBWFCKVYLES-UHFFFAOYSA-N
Molecular Formula C11H14O3
8

Benzyl 4-Hydroxybenzoate 98.0+%, TCI America™

CAS: 94-18-8 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00016471 InChI Key: MOZDKDIOPSPTBH-UHFFFAOYSA-N Synonym: benzylparaben,benzyl p-hydroxybenzoate,nipabenzyl,parosept,benzyl paraben,benzyl parasept,benzyl tegosept,solbrol z,benzyl-parasept,p-hydroxybenzoic acid benzyl ester PubChem CID: 7180 ChEBI: CHEBI:34571 IUPAC Name: benzyl 4-hydroxybenzoate SMILES: OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1

PubChem CID 7180
CAS 94-18-8
Molecular Weight (g/mol) 228.25
ChEBI CHEBI:34571
MDL Number MFCD00016471
SMILES OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1
Synonym benzylparaben,benzyl p-hydroxybenzoate,nipabenzyl,parosept,benzyl paraben,benzyl parasept,benzyl tegosept,solbrol z,benzyl-parasept,p-hydroxybenzoic acid benzyl ester
IUPAC Name benzyl 4-hydroxybenzoate
InChI Key MOZDKDIOPSPTBH-UHFFFAOYSA-N
Molecular Formula C14H12O3
9

2,4-Diaminoanisole Dihydrochloride 99.0+%, TCI America™

CAS: 614-94-8 Molecular Formula: C7H12Cl2N2O Molecular Weight (g/mol): 211.086 MDL Number: MFCD00054337 InChI Key: FNGHHDCBSVSOOI-UHFFFAOYSA-N Synonym: 4-Methoxy-1,3-phenylenediamine Dihydrochloride PubChem CID: 11975 IUPAC Name: 4-methoxybenzene-1,3-diamine;dihydrochloride SMILES: COC1=C(C=C(C=C1)N)N.Cl.Cl

PubChem CID 11975
CAS 614-94-8
Molecular Weight (g/mol) 211.086
MDL Number MFCD00054337
SMILES COC1=C(C=C(C=C1)N)N.Cl.Cl
Synonym 4-Methoxy-1,3-phenylenediamine Dihydrochloride
IUPAC Name 4-methoxybenzene-1,3-diamine;dihydrochloride
InChI Key FNGHHDCBSVSOOI-UHFFFAOYSA-N
Molecular Formula C7H12Cl2N2O
10

4,4'-Bis(dimethylamino)benzophenone 98.0+%, TCI America™

CAS: 90-94-8 Molecular Formula: C17H20N2O Molecular Weight (g/mol): 268.36 MDL Number: MFCD00008312 InChI Key: VVBLNCFGVYUYGU-UHFFFAOYSA-N Synonym: michler's ketone,4,4'-bis dimethylamino benzophenone,michler ketone,bis 4-dimethylamino phenyl methanone,p,p'-michler's ketone,michlers ketone,methanone, bis 4-dimethylamino phenyl,tetramethyldiaminobenzophenone,p,p'-bis dimethylamino benzophenone PubChem CID: 7031 ChEBI: CHEBI:82347 IUPAC Name: 4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline SMILES: CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C

PubChem CID 7031
CAS 90-94-8
Molecular Weight (g/mol) 268.36
ChEBI CHEBI:82347
MDL Number MFCD00008312
SMILES CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C
Synonym michler's ketone,4,4'-bis dimethylamino benzophenone,michler ketone,bis 4-dimethylamino phenyl methanone,p,p'-michler's ketone,michlers ketone,methanone, bis 4-dimethylamino phenyl,tetramethyldiaminobenzophenone,p,p'-bis dimethylamino benzophenone
IUPAC Name 4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline
InChI Key VVBLNCFGVYUYGU-UHFFFAOYSA-N
Molecular Formula C17H20N2O
11

Medchemexpress LLC 2-Chloro-3-pyridinol | 6636-78-8 | 99.9% | 129.55 | 50 G
SDP

2-Chloro-3-pyridinol is a biochemical reagent that can be used as a biological material or organic compound for life science related research. It can also be used in the synthesis of other active compounds. In addition, 2-Chloro-3-pyridinol is a halopyridinol disinfection by-product in drinking water samples. For research use only. We do not sell to patients.

  • Exhibits very low cytotoxicity to human hepatocellular carcinoma HepG2 cells, with an EC50 > 10000 μM.

ENCOMPASS_PREFERRED
12

U.S. Pharmacopeia Butylparaben, 94-26-8, MFCD00016478, 200mg

Molecular formula C11H14O3, Molecular weight 194.23, Melting Point 154.4 - 161.6 °F (68 - 72 °C), Boiling Point 312.8 - 314.6 °F (156 - 157 °C). Synonyms: Butyl parahydroxybenzoate, Butyl 4-hydroxybenzoate

ENCOMPASS
13

Medchemexpress LLC Isohomovanillic acid | 1131-94-8 | 182.18 | 1 G
SDP

Isohomovanillic acid is a product of catecholamine metabolism. Also known as 3-Hydroxy-4-methoxyphenylacetic acid, it can be isolated from urine and is utilized in Parkinson's disease research.

  • Product of catecholamine metabolism
  • Can be isolated from urine
  • Used in Parkinson's disease research

ENCOMPASS_PREFERRED
14

Medchemexpress LLC Isohomovanillic acid | 1131-94-8 | 182.18 | 5 G
SDP

Isohomovanillic acid (3-Hydroxy-4-methoxyphenylacetic acid) is a product of catecholamine metabolism. It can be isolated from urine and used in the research of Parkinson's disease.

  • Product of catecholamine metabolism
  • Can be isolated from urine
  • Used in Parkinson's disease research
  • Store powder at -20°C for 3 years, or 4°C for 2 years
  • Store in solvent at -80°C for 6 months, or -20°C for 1 month

ENCOMPASS_PREFERRED
15

Medchemexpress LLC Isohomovanillic acid | 1131-94-8 | 182.18 | 1 ML
SDP

Isohomovanillic acid (3-Hydroxy-4-methoxyphenylacetic acid) is a crucial product of catecholamine metabolism, naturally found in urine. It serves as a valuable compound in Parkinson's disease research. This high-purity chemical has a molecular weight of 182.18 and a molecular formula of C9H10O4, making it suitable for various laboratory applications.

  • High purity (99.12%) for reliable research outcomes
  • Effective in Parkinson's disease research applications
  • Soluble in DMSO and water for flexible experimental setups
  • Stable when stored properly in powder or solution form

ENCOMPASS_PREFERRED