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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.
Hydroxybenzoic Acid Derivatives (149)
Trifluoromethylbenzenes (64)
Fluorobenzenes (45)
Methoxybenzoic acids and derivatives (37)
Phenylmethylamines (30)
Benzyl Derivatives (27)
Nitrobenzoic acids and derivatives (26)
Phenoxy compounds (22)
Aminobenzoic acids and derivatives (21)
Benzoic acid esters (16)
Benzoic acids (8)
Methoxybenzenes (7)
Benzoyl derivatives (5)
Phenoxyacetic acid derivatives (3)
Sulfanilides (3)
Diphenylethers (2)
Styrenes (2)
Benzophenones (1)

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Keyword Search:
1 – 15 of 209 results
1

AL 8697, MedChemExpress

MedChemExpress AL 8697 is a specific and orally active p38α MAPK inhibitor with an IC50 of 6 nM. AL 8697 displays 14-fold greater inhibition of p38α compared to p38β (IC50=82 nM), and 300-fold selectivity for p38α over a panel of 91 kinases. Anti-inflammatory activity.

ENCOMPASS_PREFERRED
2

Methyl 3-fluoro-4-methoxybenzoate, 95%, Thermo Scientific™

CAS: 369-30-2 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.17 MDL Number: MFCD00215839 InChI Key: MIKOKYAREMINFF-UHFFFAOYSA-N Synonym: benzoic acid, 3-fluoro-4-methoxy-, methyl ester,methyl 3-fluoro-4-methyloxy benzoate,3-fluoro-4-methoxybenzoic acid methyl ester,pubchem3569,acmc-1ck9v,rarechem al bf 0055,# PubChem CID: 592848 IUPAC Name: methyl 3-fluoro-4-methoxybenzoate SMILES: COC(=O)C1=CC(F)=C(OC)C=C1

PubChem CID 592848
CAS 369-30-2
Molecular Weight (g/mol) 184.17
MDL Number MFCD00215839
SMILES COC(=O)C1=CC(F)=C(OC)C=C1
Synonym benzoic acid, 3-fluoro-4-methoxy-, methyl ester,methyl 3-fluoro-4-methyloxy benzoate,3-fluoro-4-methoxybenzoic acid methyl ester,pubchem3569,acmc-1ck9v,rarechem al bf 0055,#
IUPAC Name methyl 3-fluoro-4-methoxybenzoate
InChI Key MIKOKYAREMINFF-UHFFFAOYSA-N
Molecular Formula C9H9FO3
3

4-Amino-3-(trifluoromethoxy)benzoic acid, 95%, Thermo Scientific™

CAS: 175278-22-5 Molecular Formula: C8H6F3NO3 Molecular Weight (g/mol): 221.135 InChI Key: IXJFWBNYFTWBOR-UHFFFAOYSA-N Synonym: 4-amino-3-trifluoromethoxy benzoic acid,rarechem al bo 0798,buttpark 83\07-32,4-amino-3-trifluoromethoxy-benzoic acid,4-amine-3-trifluoromethoxy benzoic acid,benzoic acid, 4-amino-3-trifluoromethoxy,4-amino-3-trifluoromethoxybenzoicacid,pubchem14042,acmc-209e9s PubChem CID: 2735951 IUPAC Name: 4-amino-3-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)N

PubChem CID 2735951
CAS 175278-22-5
Molecular Weight (g/mol) 221.135
SMILES C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)N
Synonym 4-amino-3-trifluoromethoxy benzoic acid,rarechem al bo 0798,buttpark 83\07-32,4-amino-3-trifluoromethoxy-benzoic acid,4-amine-3-trifluoromethoxy benzoic acid,benzoic acid, 4-amino-3-trifluoromethoxy,4-amino-3-trifluoromethoxybenzoicacid,pubchem14042,acmc-209e9s
IUPAC Name 4-amino-3-(trifluoromethoxy)benzoic acid
InChI Key IXJFWBNYFTWBOR-UHFFFAOYSA-N
Molecular Formula C8H6F3NO3
4

Ethyl 3-chlorobenzoate, 98+%

CAS: 1128-76-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00013634 InChI Key: LVFRSNCBCHABAM-UHFFFAOYSA-N Synonym: benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056 PubChem CID: 70785 IUPAC Name: ethyl 3-chlorobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Cl

PubChem CID 70785
CAS 1128-76-3
Molecular Weight (g/mol) 184.619
MDL Number MFCD00013634
SMILES CCOC(=O)C1=CC(=CC=C1)Cl
Synonym benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056
IUPAC Name ethyl 3-chlorobenzoate
InChI Key LVFRSNCBCHABAM-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
5

Methyl 4-fluoro-2-methylbenzoate, 98%

CAS: 174403-69-1 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD06203790 InChI Key: ZQFCTCYDRQFPBU-UHFFFAOYSA-N Synonym: benzoic acid, 4-fluoro-2-methyl-, methyl ester,4-fluoro-2-methylbenzoic acid methyl ester,rarechem al bf 0506,methyl=4-fluoro-2-methylbenzoate,4-fluoro-2-methyl benzoic acid methyl ester,4-fluoro-2-methyl-benzoic acid methyl ester,benzoic acid,4-fluoro-2-methyl-,methyl ester PubChem CID: 2782181 IUPAC Name: methyl 4-fluoro-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=C(F)C=C1

PubChem CID 2782181
CAS 174403-69-1
Molecular Weight (g/mol) 168.17
MDL Number MFCD06203790
SMILES COC(=O)C1=C(C)C=C(F)C=C1
Synonym benzoic acid, 4-fluoro-2-methyl-, methyl ester,4-fluoro-2-methylbenzoic acid methyl ester,rarechem al bf 0506,methyl=4-fluoro-2-methylbenzoate,4-fluoro-2-methyl benzoic acid methyl ester,4-fluoro-2-methyl-benzoic acid methyl ester,benzoic acid,4-fluoro-2-methyl-,methyl ester
IUPAC Name methyl 4-fluoro-2-methylbenzoate
InChI Key ZQFCTCYDRQFPBU-UHFFFAOYSA-N
Molecular Formula C9H9FO2
6

Methyl 2-methoxy-5-nitrobenzoate, 98%

CAS: 34841-11-7 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.173 MDL Number: MFCD00673023 InChI Key: DOBFJVVTBNTGCW-UHFFFAOYSA-N Synonym: 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757 PubChem CID: 7020925 IUPAC Name: methyl 2-methoxy-5-nitrobenzoate SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

PubChem CID 7020925
CAS 34841-11-7
Molecular Weight (g/mol) 211.173
MDL Number MFCD00673023
SMILES COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
Synonym 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757
IUPAC Name methyl 2-methoxy-5-nitrobenzoate
InChI Key DOBFJVVTBNTGCW-UHFFFAOYSA-N
Molecular Formula C9H9NO5
7

Methyl 3,5-dimethoxybenzoate, 98%

CAS: 2150-37-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008432 InChI Key: YXUIOVUOFQKWDM-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzoic acid methyl ester,benzoic acid, 3,5-dimethoxy-, methyl ester,3,5-dimethoxybenzoic acid methyl,methyl 3,5-bis methyloxy benzoate,acmc-1ccvs,rarechem al bf 0065,methyl 3,5-dimethoxybnezoate,ksc489q8p,ethyl 3,5-dimethoxybenzoate,methyl 3,5-dimethoxybenzoate PubChem CID: 75074 IUPAC Name: methyl 3,5-dimethoxybenzoate SMILES: COC(=O)C1=CC(OC)=CC(OC)=C1

PubChem CID 75074
CAS 2150-37-0
Molecular Weight (g/mol) 196.20
MDL Number MFCD00008432
SMILES COC(=O)C1=CC(OC)=CC(OC)=C1
Synonym 3,5-dimethoxybenzoic acid methyl ester,benzoic acid, 3,5-dimethoxy-, methyl ester,3,5-dimethoxybenzoic acid methyl,methyl 3,5-bis methyloxy benzoate,acmc-1ccvs,rarechem al bf 0065,methyl 3,5-dimethoxybnezoate,ksc489q8p,ethyl 3,5-dimethoxybenzoate,methyl 3,5-dimethoxybenzoate
IUPAC Name methyl 3,5-dimethoxybenzoate
InChI Key YXUIOVUOFQKWDM-UHFFFAOYSA-N
Molecular Formula C10H12O4
8

Methyl 4-fluoro-2-methoxybenzoate, 97+%, Thermo Scientific Chemicals

CAS: 204707-42-6 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.17 MDL Number: MFCD06203990 InChI Key: LJUAEPNTXDJBRX-UHFFFAOYSA-N Synonym: 4-fluoro-2-methoxybenzoic acid methyl ester,methyl 2-methoxy-4-fluoro-benzoate,benzoic acid, 4-fluoro-2-methoxy-, methyl ester,rarechem al bf 1023,methyl-4-fluoro-2-methoxybenzoate,methyl 4-fluoranyl-2-methoxy-benzoate,2-methoxy-4-fluorobenzoic acid methyl ester,4-fluoro-2-methoxy-benzoic acid methyl ester PubChem CID: 10241478 IUPAC Name: methyl 4-fluoro-2-methoxybenzoate SMILES: COC(=O)C1=C(OC)C=C(F)C=C1

PubChem CID 10241478
CAS 204707-42-6
Molecular Weight (g/mol) 184.17
MDL Number MFCD06203990
SMILES COC(=O)C1=C(OC)C=C(F)C=C1
Synonym 4-fluoro-2-methoxybenzoic acid methyl ester,methyl 2-methoxy-4-fluoro-benzoate,benzoic acid, 4-fluoro-2-methoxy-, methyl ester,rarechem al bf 1023,methyl-4-fluoro-2-methoxybenzoate,methyl 4-fluoranyl-2-methoxy-benzoate,2-methoxy-4-fluorobenzoic acid methyl ester,4-fluoro-2-methoxy-benzoic acid methyl ester
IUPAC Name methyl 4-fluoro-2-methoxybenzoate
InChI Key LJUAEPNTXDJBRX-UHFFFAOYSA-N
Molecular Formula C9H9FO3
9

Methyl 2,5-dichlorobenzoate, 99%

CAS: 2905-69-3 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.03 MDL Number: MFCD00000606 InChI Key: SPJQBGGHUDNAIC-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzoic acid methyl ester,benzoic acid, 2,5-dichloro-, methyl ester,methyl-2,5-dichlorobenzoate,unii-j07555o4he,benzoic acid, dichloro-, methyl ester,pubchem3714,acmc-1bhkt,2,5-dcbme,rarechem al bf 0427,methyl 2,5-bis chloranyl benzoate PubChem CID: 17947 IUPAC Name: methyl 2,5-dichlorobenzoate SMILES: COC(=O)C1=CC(Cl)=CC=C1Cl

PubChem CID 17947
CAS 2905-69-3
Molecular Weight (g/mol) 205.03
MDL Number MFCD00000606
SMILES COC(=O)C1=CC(Cl)=CC=C1Cl
Synonym 2,5-dichlorobenzoic acid methyl ester,benzoic acid, 2,5-dichloro-, methyl ester,methyl-2,5-dichlorobenzoate,unii-j07555o4he,benzoic acid, dichloro-, methyl ester,pubchem3714,acmc-1bhkt,2,5-dcbme,rarechem al bf 0427,methyl 2,5-bis chloranyl benzoate
IUPAC Name methyl 2,5-dichlorobenzoate
InChI Key SPJQBGGHUDNAIC-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O2
10

2,4,6-Trifluorobenzoic acid, 98%

CAS: 28314-80-9 Molecular Formula: C7H3F3O2 Molecular Weight (g/mol): 176.094 MDL Number: MFCD00042398 InChI Key: SJZATRRXUILGHH-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro PubChem CID: 520373 IUPAC Name: 2,4,6-trifluorobenzoic acid SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)F

PubChem CID 520373
CAS 28314-80-9
Molecular Weight (g/mol) 176.094
MDL Number MFCD00042398
SMILES C1=C(C=C(C(=C1F)C(=O)O)F)F
Synonym benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro
IUPAC Name 2,4,6-trifluorobenzoic acid
InChI Key SJZATRRXUILGHH-UHFFFAOYSA-N
Molecular Formula C7H3F3O2
11

Ethyl 4-chlorobenzoate, 98+%

CAS: 7335-27-5 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00013645 InChI Key: RWBYCMPOFNRISR-UHFFFAOYSA-N Synonym: ethyl p-chlorobenzoate,benzoic acid, 4-chloro-, ethyl ester,ethyl-4-chlorobenzoate,p-ethoxycarbonyl phenyl chloride,ethyl4-chlorobenzoate,rarechem al bi 0077,4-chlorobenzoic acid ethyl ester,ethyl p-chlorobenzate,benzoic acid, p-chloro-, ethyl ester,pubchem3705 PubChem CID: 81785 IUPAC Name: ethyl 4-chlorobenzoate SMILES: CCOC(=O)C1=CC=C(Cl)C=C1

PubChem CID 81785
CAS 7335-27-5
Molecular Weight (g/mol) 184.62
MDL Number MFCD00013645
SMILES CCOC(=O)C1=CC=C(Cl)C=C1
Synonym ethyl p-chlorobenzoate,benzoic acid, 4-chloro-, ethyl ester,ethyl-4-chlorobenzoate,p-ethoxycarbonyl phenyl chloride,ethyl4-chlorobenzoate,rarechem al bi 0077,4-chlorobenzoic acid ethyl ester,ethyl p-chlorobenzate,benzoic acid, p-chloro-, ethyl ester,pubchem3705
IUPAC Name ethyl 4-chlorobenzoate
InChI Key RWBYCMPOFNRISR-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
12

Methyl 2,5-dihydroxybenzoate, 98%

CAS: 2150-46-1 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016464 InChI Key: XGDPKUKRQHHZTH-UHFFFAOYSA-N Synonym: methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 PubChem CID: 75077 IUPAC Name: methyl 2,5-dihydroxybenzoate SMILES: COC(=O)C1=CC(O)=CC=C1O

PubChem CID 75077
CAS 2150-46-1
Molecular Weight (g/mol) 168.15
MDL Number MFCD00016464
SMILES COC(=O)C1=CC(O)=CC=C1O
Synonym methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043
IUPAC Name methyl 2,5-dihydroxybenzoate
InChI Key XGDPKUKRQHHZTH-UHFFFAOYSA-N
Molecular Formula C8H8O4
14

4-Fluorophthalic acid, 98%

CAS: 320-97-8 Molecular Formula: C8H5FO4 Molecular Weight (g/mol): 184.12 MDL Number: MFCD06208213 InChI Key: OMCXTFVBNCFZMY-UHFFFAOYSA-N Synonym: 4-fluorobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-fluoro,5-fluorophtalic acid,5-fluorophthalic acid,4-fluorobenzene-1,2-dioic acid,3-fluorophthalicacid,pubchem1406,rarechem al bo 0829,1,2-benzenedicarboxylicacid, 4-fluoro PubChem CID: 15312 IUPAC Name: 4-fluorophthalic acid SMILES: OC(=O)C1=CC=C(F)C=C1C(O)=O

PubChem CID 15312
CAS 320-97-8
Molecular Weight (g/mol) 184.12
MDL Number MFCD06208213
SMILES OC(=O)C1=CC=C(F)C=C1C(O)=O
Synonym 4-fluorobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-fluoro,5-fluorophtalic acid,5-fluorophthalic acid,4-fluorobenzene-1,2-dioic acid,3-fluorophthalicacid,pubchem1406,rarechem al bo 0829,1,2-benzenedicarboxylicacid, 4-fluoro
IUPAC Name 4-fluorophthalic acid
InChI Key OMCXTFVBNCFZMY-UHFFFAOYSA-N
Molecular Formula C8H5FO4
15

2-Bromo-5-fluorobenzoic acid, 98+%

CAS: 394-28-5 Molecular Formula: C7H3BrFO2 Molecular Weight (g/mol): 218.00 MDL Number: MFCD00142874 InChI Key: OQBMJMJZMDBQSM-UHFFFAOYSA-M Synonym: benzoic acid, 2-bromo-5-fluoro,5-fluoro-2-bromobenzoic acid,2-bromo-5-fluoro-benzoic acid,2-bromo-5-fluorobenzoicacid,2-bromo-5-fluorbenzoic acid,buttpark 19\01-66,pubchem1315,acmc-1ahhq,ksc226g3p,rarechem al bo 0747 PubChem CID: 2778181 IUPAC Name: 2-bromo-5-fluorobenzoic acid SMILES: [O-]C(=O)C1=CC(F)=CC=C1Br

PubChem CID 2778181
CAS 394-28-5
Molecular Weight (g/mol) 218.00
MDL Number MFCD00142874
SMILES [O-]C(=O)C1=CC(F)=CC=C1Br
Synonym benzoic acid, 2-bromo-5-fluoro,5-fluoro-2-bromobenzoic acid,2-bromo-5-fluoro-benzoic acid,2-bromo-5-fluorobenzoicacid,2-bromo-5-fluorbenzoic acid,buttpark 19\01-66,pubchem1315,acmc-1ahhq,ksc226g3p,rarechem al bo 0747
IUPAC Name 2-bromo-5-fluorobenzoic acid
InChI Key OQBMJMJZMDBQSM-UHFFFAOYSA-M
Molecular Formula C7H3BrFO2