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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.
Phenylpropenes (745)
Aminobenzoic acids and derivatives (120)
Fluorobenzenes (21)
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Trifluoromethylbenzenes (15)
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1 – 15 of 971 results
1

Octisalate, USP, 95-105%, Spectrum™ Chemical
SDP

CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O

CAS 118-60-5
Molecular Weight (g/mol) 250.34
SMILES CCCCC(CC)COC(=O)C1=CC=CC=C1O
IUPAC Name 2-ethylhexyl 2-hydroxybenzoate
InChI Key FMRHJJZUHUTGKE-UHFFFAOYNA-N
Molecular Formula C15H22O3
2

Spectrum Chemical Manufacturing Corporation Octisalate, USP, 95-105%, Spectrum™ Chemical
SDP

CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O

CAS 118-60-5
Molecular Weight (g/mol) 250.34
SMILES CCCCC(CC)COC(=O)C1=CC=CC=C1O
IUPAC Name 2-ethylhexyl 2-hydroxybenzoate
InChI Key FMRHJJZUHUTGKE-UHFFFAOYNA-N
Molecular Formula C15H22O3
3

1-Benzyl-3-pyrrolidinol 96.0+%, TCI America™

CAS: 775-15-5 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD00012132 InChI Key: YQMXOIAIYXXXEE-UHFFFAOYSA-N PubChem CID: 69889 IUPAC Name: 1-benzylpyrrolidin-3-ol SMILES: C1CN(CC1O)CC2=CC=CC=C2

PubChem CID 69889
CAS 775-15-5
Molecular Weight (g/mol) 177.247
MDL Number MFCD00012132
SMILES C1CN(CC1O)CC2=CC=CC=C2
IUPAC Name 1-benzylpyrrolidin-3-ol
InChI Key YQMXOIAIYXXXEE-UHFFFAOYSA-N
Molecular Formula C11H15NO
4

3-Bromo-2-fluorobenzaldehyde 98.0+%, TCI America™

CAS: 149947-15-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD09027089 InChI Key: OUAZPCKRSSEQKB-UHFFFAOYSA-N Synonym: 3-bromo-2-fluorobenzenecarbaldehyde,3-bromo-2-fluorobenzadehyde,2-fluoro-3-bromobenzaldehyde,benzaldehyde,3-bromo-2-fluoro,benzaldehyde, 3-bromo-2-fluoro,3-bromofluorobenzaldehyde,intermediates-zcf02145,acmc-209d3i,3-bromo-2-fluoro-benzaldehyde,3-bromanyl-2-fluoranyl-benzaldehyde PubChem CID: 22019361 IUPAC Name: 3-bromo-2-fluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)Br)F)C=O

PubChem CID 22019361
CAS 149947-15-9
Molecular Weight (g/mol) 203.01
MDL Number MFCD09027089
SMILES C1=CC(=C(C(=C1)Br)F)C=O
Synonym 3-bromo-2-fluorobenzenecarbaldehyde,3-bromo-2-fluorobenzadehyde,2-fluoro-3-bromobenzaldehyde,benzaldehyde,3-bromo-2-fluoro,benzaldehyde, 3-bromo-2-fluoro,3-bromofluorobenzaldehyde,intermediates-zcf02145,acmc-209d3i,3-bromo-2-fluoro-benzaldehyde,3-bromanyl-2-fluoranyl-benzaldehyde
IUPAC Name 3-bromo-2-fluorobenzaldehyde
InChI Key OUAZPCKRSSEQKB-UHFFFAOYSA-N
Molecular Formula C7H4BrFO
5

3,5-Dichloro-2,4-difluoroaniline 94.0+%, TCI America™

CAS: 83121-15-7 Molecular Formula: C6H3Cl2F2N Molecular Weight (g/mol): 197.99 MDL Number: MFCD00044104 InChI Key: KLECNQGLBJHVSH-UHFFFAOYSA-N PubChem CID: 2774000 IUPAC Name: 3,5-dichloro-2,4-difluoroaniline SMILES: NC1=CC(Cl)=C(F)C(Cl)=C1F

PubChem CID 2774000
CAS 83121-15-7
Molecular Weight (g/mol) 197.99
MDL Number MFCD00044104
SMILES NC1=CC(Cl)=C(F)C(Cl)=C1F
IUPAC Name 3,5-dichloro-2,4-difluoroaniline
InChI Key KLECNQGLBJHVSH-UHFFFAOYSA-N
Molecular Formula C6H3Cl2F2N
6

2-Mesitylenesulfonyl Hydrazide 97.0+%, TCI America™

CAS: 16182-15-3 Molecular Formula: C9H14N2O2S Molecular Weight (g/mol): 214.283 MDL Number: MFCD00007585 InChI Key: JQUBKTQDNVZHIY-UHFFFAOYSA-N Synonym: 2,4,6-trimethylbenzenesulfonyl hydrazide,mesitylene-2-sulphonohydrazide,2-mesitylenesulfonyl hydrazide,2-mesitylenesulfonohydrazide,2-mesitylenesulfono hydrazide,benzenesulfonic acid,2,4,6-trimethyl-, hydrazide,hydrazino 2,4,6-trimethylphenyl sulfone,mesitylenesulphonohydrazide,mesitylenesulfonylhydrazide,2-mesitylehesulfonohydrazide PubChem CID: 85321 IUPAC Name: 2,4,6-trimethylbenzenesulfonohydrazide SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NN)C

PubChem CID 85321
CAS 16182-15-3
Molecular Weight (g/mol) 214.283
MDL Number MFCD00007585
SMILES CC1=CC(=C(C(=C1)C)S(=O)(=O)NN)C
Synonym 2,4,6-trimethylbenzenesulfonyl hydrazide,mesitylene-2-sulphonohydrazide,2-mesitylenesulfonyl hydrazide,2-mesitylenesulfonohydrazide,2-mesitylenesulfono hydrazide,benzenesulfonic acid,2,4,6-trimethyl-, hydrazide,hydrazino 2,4,6-trimethylphenyl sulfone,mesitylenesulphonohydrazide,mesitylenesulfonylhydrazide,2-mesitylehesulfonohydrazide
IUPAC Name 2,4,6-trimethylbenzenesulfonohydrazide
InChI Key JQUBKTQDNVZHIY-UHFFFAOYSA-N
Molecular Formula C9H14N2O2S
7

4-Hydroxy-4'-dimethylaminoazobenzene 98.0+%, TCI America™

CAS: 2496-15-3 Molecular Formula: C14H15N3O Molecular Weight (g/mol): 241.294 MDL Number: MFCD00059624 InChI Key: XBCKVYYJXKZISB-UHFFFAOYSA-N Synonym: 4-(4-Dimethylaminophenylazo)phenol PubChem CID: 5370977 IUPAC Name: 4-[[4-(dimethylamino)phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one SMILES: CN(C)C1=CC=C(C=C1)NN=C2C=CC(=O)C=C2

PubChem CID 5370977
CAS 2496-15-3
Molecular Weight (g/mol) 241.294
MDL Number MFCD00059624
SMILES CN(C)C1=CC=C(C=C1)NN=C2C=CC(=O)C=C2
Synonym 4-(4-Dimethylaminophenylazo)phenol
IUPAC Name 4-[[4-(dimethylamino)phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
InChI Key XBCKVYYJXKZISB-UHFFFAOYSA-N
Molecular Formula C14H15N3O
8

Methyl 3,5-Dibromobenzoate 98.0+%, TCI America™

CAS: 51329-15-8 Molecular Formula: C8H6Br2O2 Molecular Weight (g/mol): 293.94 MDL Number: MFCD00082648 InChI Key: GSMAWUZTAIOCPL-UHFFFAOYSA-N Synonym: methyl3,5-dibromobenzoate,3,5-dibromobenzoic acid methyl ester,benzoic acid, 3,5-dibromo-, methyl ester,3,5-dibromomethylbenzoate,1,3-dibromo-5-methoxycarbonyl benzene,pubchem3973,maybridge1_007706,acmc-209kt2,ksc274i7j,rarechem al bf 0770 PubChem CID: 621923 IUPAC Name: methyl 3,5-dibromobenzoate SMILES: COC(=O)C1=CC(Br)=CC(Br)=C1

PubChem CID 621923
CAS 51329-15-8
Molecular Weight (g/mol) 293.94
MDL Number MFCD00082648
SMILES COC(=O)C1=CC(Br)=CC(Br)=C1
Synonym methyl3,5-dibromobenzoate,3,5-dibromobenzoic acid methyl ester,benzoic acid, 3,5-dibromo-, methyl ester,3,5-dibromomethylbenzoate,1,3-dibromo-5-methoxycarbonyl benzene,pubchem3973,maybridge1_007706,acmc-209kt2,ksc274i7j,rarechem al bf 0770
IUPAC Name methyl 3,5-dibromobenzoate
InChI Key GSMAWUZTAIOCPL-UHFFFAOYSA-N
Molecular Formula C8H6Br2O2
9

Ketoprofen 98.0+%, TCI America™

CAS: 22071-15-4 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.285 MDL Number: MFCD00055790 InChI Key: DKYWVDODHFEZIM-UHFFFAOYSA-N Synonym: ketoprofen,2-3-benzoylphenyl propanoic acid,orudis,m-benzoylhydratropic acid,2-3-benzoylphenyl propionic acid,ketoprofene,profenid,oruvail,3-benzoylhydratropic acid,alrheumat PubChem CID: 3825 ChEBI: CHEBI:6128 IUPAC Name: 2-(3-benzoylphenyl)propanoic acid SMILES: CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

PubChem CID 3825
CAS 22071-15-4
Molecular Weight (g/mol) 254.285
ChEBI CHEBI:6128
MDL Number MFCD00055790
SMILES CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O
Synonym ketoprofen,2-3-benzoylphenyl propanoic acid,orudis,m-benzoylhydratropic acid,2-3-benzoylphenyl propionic acid,ketoprofene,profenid,oruvail,3-benzoylhydratropic acid,alrheumat
IUPAC Name 2-(3-benzoylphenyl)propanoic acid
InChI Key DKYWVDODHFEZIM-UHFFFAOYSA-N
Molecular Formula C16H14O3
10

4-Fluoro-3-methylbenzoic Acid 98.0+%, TCI America™

CAS: 403-15-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD01631424 InChI Key: VOCCEVKUXUIHOI-UHFFFAOYSA-N Synonym: 4-fluoro-m-toluic acid,4-fluoro-3-methylbenzoicacid,3-methyl-4-fluorobenzoic acid,4-fluoro-3-methyl-benzoic acid,3-methyl-4-fluoro benzoic acid,benzoic acid, 4-fluoro-3-methyl,pubchem1397,acmc-1aii0,ksc494s2d,rarechem al bo 2279 PubChem CID: 242828 IUPAC Name: 4-fluoro-3-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)C(=O)O)F

PubChem CID 242828
CAS 403-15-6
Molecular Weight (g/mol) 154.14
MDL Number MFCD01631424
SMILES CC1=C(C=CC(=C1)C(=O)O)F
Synonym 4-fluoro-m-toluic acid,4-fluoro-3-methylbenzoicacid,3-methyl-4-fluorobenzoic acid,4-fluoro-3-methyl-benzoic acid,3-methyl-4-fluoro benzoic acid,benzoic acid, 4-fluoro-3-methyl,pubchem1397,acmc-1aii0,ksc494s2d,rarechem al bo 2279
IUPAC Name 4-fluoro-3-methylbenzoic acid
InChI Key VOCCEVKUXUIHOI-UHFFFAOYSA-N
Molecular Formula C8H7FO2
11

2-(2-Bromophenyl)-4,6-diphenyl-1,3,5-triazine 98.0+%, TCI America™

CAS: 77989-15-2 Molecular Formula: C21H14BrN3 Molecular Weight (g/mol): 388.268 MDL Number: MFCD29047055 InChI Key: MSTJGWCHJCZPEQ-UHFFFAOYSA-N PubChem CID: 12689834 IUPAC Name: 2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3Br)C4=CC=CC=C4

PubChem CID 12689834
CAS 77989-15-2
Molecular Weight (g/mol) 388.268
MDL Number MFCD29047055
SMILES C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3Br)C4=CC=CC=C4
IUPAC Name 2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine
InChI Key MSTJGWCHJCZPEQ-UHFFFAOYSA-N
Molecular Formula C21H14BrN3
12

2-Fluoro-5-(trifluoromethyl)phenol 98.0+%, TCI America™

CAS: 141483-15-0 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD00061286 InChI Key: MCOSBFKOUQAIJS-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethyl phenol,4-fluoro-3-hydroxybenzotrifluoride,2-fluoro-5-trifluoromethyl-phenol,phenol, 2-fluoro-5-trifluoromethyl,alpha,alpha,alpha,6-tetrafluoro-m-cresol,pubchem4145,intermediates-zcf02079,acmc-1c6g6,ksc495m9p,5-trifluoromethyl-2-fluorophenol PubChem CID: 518888 IUPAC Name: 2-fluoro-5-(trifluoromethyl)phenol SMILES: OC1=CC(=CC=C1F)C(F)(F)F

PubChem CID 518888
CAS 141483-15-0
Molecular Weight (g/mol) 180.10
MDL Number MFCD00061286
SMILES OC1=CC(=CC=C1F)C(F)(F)F
Synonym 2-fluoro-5-trifluoromethyl phenol,4-fluoro-3-hydroxybenzotrifluoride,2-fluoro-5-trifluoromethyl-phenol,phenol, 2-fluoro-5-trifluoromethyl,alpha,alpha,alpha,6-tetrafluoro-m-cresol,pubchem4145,intermediates-zcf02079,acmc-1c6g6,ksc495m9p,5-trifluoromethyl-2-fluorophenol
IUPAC Name 2-fluoro-5-(trifluoromethyl)phenol
InChI Key MCOSBFKOUQAIJS-UHFFFAOYSA-N
Molecular Formula C7H4F4O
13

3-Chlorobenzotrifluoride 90.0+%, TCI America™

CAS: 98-15-7 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000594 InChI Key: YTCGOUNVIAWCMG-UHFFFAOYSA-N Synonym: 3-chlorobenzotrifluoride,1-chloro-3-trifluoromethyl benzene,m-chlorobenzotrifluoride,benzene, 1-chloro-3-trifluoromethyl,3-chloro-alpha,alpha,alpha-trifluorotoluene,3-chlorotrifluoromethylbenzene,m-trifluoromethylphenyl chloride,meta trifluoromethyl chlorobenzene,3-chlorotrifluorotoluene,ccris 2810 PubChem CID: 7374 IUPAC Name: 1-chloro-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)Cl)C(F)(F)F

PubChem CID 7374
CAS 98-15-7
Molecular Weight (g/mol) 180.554
MDL Number MFCD00000594
SMILES C1=CC(=CC(=C1)Cl)C(F)(F)F
Synonym 3-chlorobenzotrifluoride,1-chloro-3-trifluoromethyl benzene,m-chlorobenzotrifluoride,benzene, 1-chloro-3-trifluoromethyl,3-chloro-alpha,alpha,alpha-trifluorotoluene,3-chlorotrifluoromethylbenzene,m-trifluoromethylphenyl chloride,meta trifluoromethyl chlorobenzene,3-chlorotrifluorotoluene,ccris 2810
IUPAC Name 1-chloro-3-(trifluoromethyl)benzene
InChI Key YTCGOUNVIAWCMG-UHFFFAOYSA-N
Molecular Formula C7H4ClF3
14

2-Methyl-3-nitrophenylacetic Acid 96.0+%, TCI America™

CAS: 23876-15-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD07782132 InChI Key: LWIOFILTAJJDLA-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrophenylacetic acid,2-methyl-3-nitrophenyl acetic acid,2-2-methyl-3-nitrophenyl acetic acid,2-methyl-3-nitro-benzeneacetic acid,3-nitro-o-tolyl acetic acid,benzeneacetic acid, 2-methyl-3-nitro,2-methyl-3-nitrophenylaceticacid,2-methyl-3-nitrobenzeneacetic acid,2-methyl-3-nitro phenyl acetic acid,pubchem18230 PubChem CID: 13530897 SMILES: CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O

PubChem CID 13530897
CAS 23876-15-5
Molecular Weight (g/mol) 195.174
MDL Number MFCD07782132
SMILES CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O
Synonym 2-methyl-3-nitrophenylacetic acid,2-methyl-3-nitrophenyl acetic acid,2-2-methyl-3-nitrophenyl acetic acid,2-methyl-3-nitro-benzeneacetic acid,3-nitro-o-tolyl acetic acid,benzeneacetic acid, 2-methyl-3-nitro,2-methyl-3-nitrophenylaceticacid,2-methyl-3-nitrobenzeneacetic acid,2-methyl-3-nitro phenyl acetic acid,pubchem18230
InChI Key LWIOFILTAJJDLA-UHFFFAOYSA-N
Molecular Formula C9H9NO4
15

Ethyl 3-(3,4-Dichlorophenyl)carbazate 98.0+%, TCI America™

CAS: 13124-15-7 Molecular Formula: C9H10Cl2N2O2 Molecular Weight (g/mol): 249.09 MDL Number: MFCD28975114 InChI Key: JLVAIPOSBJQZGC-UHFFFAOYSA-N Synonym: 3-(3,4-Dichlorophenyl)carbazic Acid Ethyl Ester, 1-(3,4-Dichlorophenyl)-2-(ethoxycarbonyl)hydrazine PubChem CID: 12787057 IUPAC Name: N'-(3,4-dichlorophenyl)ethoxycarbohydrazide SMILES: CCOC(=O)NNC1=CC(Cl)=C(Cl)C=C1

PubChem CID 12787057
CAS 13124-15-7
Molecular Weight (g/mol) 249.09
MDL Number MFCD28975114
SMILES CCOC(=O)NNC1=CC(Cl)=C(Cl)C=C1
Synonym 3-(3,4-Dichlorophenyl)carbazic Acid Ethyl Ester, 1-(3,4-Dichlorophenyl)-2-(ethoxycarbonyl)hydrazine
IUPAC Name N'-(3,4-dichlorophenyl)ethoxycarbohydrazide
InChI Key JLVAIPOSBJQZGC-UHFFFAOYSA-N
Molecular Formula C9H10Cl2N2O2