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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.
Aminobenzoic acids and derivatives (33)
Hydroxybenzoic Acid Derivatives (30)
Phenylpropenes (15)
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Nitrobenzoic acids and derivatives (5)
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Phenoxyacetic acid derivatives (2)
Aniline and substituted anilines (1)
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Methoxybenzenes (1)
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Thiobenzoic acids and derivatives (1)

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1 – 15 of 153 results
1

2-Fluoro-4-nitrotoluene 97.0+%, TCI America™

CAS: 1427-07-2 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007199 InChI Key: WIQISTBTOQNVCE-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrotoluene,toluene, 2-fluoro-4-nitro,benzene, 2-fluoro-1-methyl-4-nitro,3-fluoro-4-methylnitrobenzene,1-methyl-2-fluoro-4-nitrobenzene,2-fluoro-1-methyl-4-nitro-benzene,pubchem1592,2-fluoro4-nitrotoluene,acmc-209cov,2-fluor-4-nitro-toluol PubChem CID: 74025 IUPAC Name: 2-fluoro-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])F

PubChem CID 74025
CAS 1427-07-2
Molecular Weight (g/mol) 155.128
MDL Number MFCD00007199
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])F
Synonym 2-fluoro-4-nitrotoluene,toluene, 2-fluoro-4-nitro,benzene, 2-fluoro-1-methyl-4-nitro,3-fluoro-4-methylnitrobenzene,1-methyl-2-fluoro-4-nitrobenzene,2-fluoro-1-methyl-4-nitro-benzene,pubchem1592,2-fluoro4-nitrotoluene,acmc-209cov,2-fluor-4-nitro-toluol
IUPAC Name 2-fluoro-1-methyl-4-nitrobenzene
InChI Key WIQISTBTOQNVCE-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
2

3,4-Difluorobenzaldehyde 97.0+%, TCI America™

CAS: 34036-07-2 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010328 InChI Key: JPHKMYXKNKLNDF-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-difluoro,pubchem1413,3,4 difluorobenzaldehyde,3,4-diflourobenzaldehyde,3.4-difluorobenzaldehyde,3,4-difluoro-benzaldehye,3,4-difluro-benzaldehyde,acmc-1ajc9,3, 4-difluorobenzaldehyde,3,4-difluoro benzaldehyde PubChem CID: 588088 IUPAC Name: 3,4-difluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)F

PubChem CID 588088
CAS 34036-07-2
Molecular Weight (g/mol) 142.105
MDL Number MFCD00010328
SMILES C1=CC(=C(C=C1C=O)F)F
Synonym benzaldehyde, 3,4-difluoro,pubchem1413,3,4 difluorobenzaldehyde,3,4-diflourobenzaldehyde,3.4-difluorobenzaldehyde,3,4-difluoro-benzaldehye,3,4-difluro-benzaldehyde,acmc-1ajc9,3, 4-difluorobenzaldehyde,3,4-difluoro benzaldehyde
IUPAC Name 3,4-difluorobenzaldehyde
InChI Key JPHKMYXKNKLNDF-UHFFFAOYSA-N
Molecular Formula C7H4F2O
3

2,6-Dimethoxytoluene 98.0+%, TCI America™

CAS: 5673-07-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00008374 InChI Key: FPEUDBGJAVKAEE-UHFFFAOYSA-N Synonym: 2,6-dimethoxytoluene,benzene, 1,3-dimethoxy-2-methyl,2-methyl-1,3-bis methyloxy benzene,1,3-dimethoxy-2-methylbenzol,pubchem4545,acmc-1aqu0,3-chloro-6-hydroxybiphenyl,1,3-dimethoxy-2-methyl-benzene,# PubChem CID: 79755 IUPAC Name: 1,3-dimethoxy-2-methylbenzene SMILES: CC1=C(C=CC=C1OC)OC

PubChem CID 79755
CAS 5673-07-4
Molecular Weight (g/mol) 152.19
MDL Number MFCD00008374
SMILES CC1=C(C=CC=C1OC)OC
Synonym 2,6-dimethoxytoluene,benzene, 1,3-dimethoxy-2-methyl,2-methyl-1,3-bis methyloxy benzene,1,3-dimethoxy-2-methylbenzol,pubchem4545,acmc-1aqu0,3-chloro-6-hydroxybiphenyl,1,3-dimethoxy-2-methyl-benzene,#
IUPAC Name 1,3-dimethoxy-2-methylbenzene
InChI Key FPEUDBGJAVKAEE-UHFFFAOYSA-N
Molecular Formula C9H12O2
4

2-(Trifluoromethoxy)benzyl Alcohol 96.0+%, TCI America™

CAS: 175278-07-6 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.14 MDL Number: MFCD00153285 InChI Key: ICOVMLDFMWLRJO-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy benzyl alcohol,2-trifluoromethoxy phenyl methanol,2-trifluoromethoxy benzylalcohol,2-trifluoromethoxybenzyl alcohol,benzenemethanol, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methan-1-ol,pubchem2745,acmc-209e9m,rarechem al bd 0282 PubChem CID: 2777245 IUPAC Name: [2-(trifluoromethoxy)phenyl]methanol SMILES: OCC1=CC=CC=C1OC(F)(F)F

PubChem CID 2777245
CAS 175278-07-6
Molecular Weight (g/mol) 192.14
MDL Number MFCD00153285
SMILES OCC1=CC=CC=C1OC(F)(F)F
Synonym 2-trifluoromethoxy benzyl alcohol,2-trifluoromethoxy phenyl methanol,2-trifluoromethoxy benzylalcohol,2-trifluoromethoxybenzyl alcohol,benzenemethanol, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methan-1-ol,pubchem2745,acmc-209e9m,rarechem al bd 0282
IUPAC Name [2-(trifluoromethoxy)phenyl]methanol
InChI Key ICOVMLDFMWLRJO-UHFFFAOYSA-N
Molecular Formula C8H7F3O2
5

1-Phenyl-1,2-propanedione 97.0+%, TCI America™

CAS: 579-07-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00008755 InChI Key: BVQVLAIMHVDZEL-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone PubChem CID: 11363 ChEBI: CHEBI:63552 IUPAC Name: 1-phenylpropane-1,2-dione SMILES: CC(=O)C(=O)C1=CC=CC=C1

PubChem CID 11363
CAS 579-07-7
Molecular Weight (g/mol) 148.16
ChEBI CHEBI:63552
MDL Number MFCD00008755
SMILES CC(=O)C(=O)C1=CC=CC=C1
Synonym 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone
IUPAC Name 1-phenylpropane-1,2-dione
InChI Key BVQVLAIMHVDZEL-UHFFFAOYSA-N
Molecular Formula C9H8O2
6

4-tert-Butyl-2-nitrophenol 98.0+%, TCI America™

CAS: 3279-07-0 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.218 MDL Number: MFCD00191888 InChI Key: IHGNADPMUSNTJW-UHFFFAOYSA-N Synonym: 2-nitro-4-tert-butylphenol,4-tert-butyl-2-nitrophenol,phenol, 4-1,1-dimethylethyl-2-nitro,4-tert.-butyl-2-nitrophenol,acmc-209hvt,o-nitro-p-t-butyl-phenol,2-nitro-4-t-butyl phenol,4-t-butyl-2-nitro-phenol,4-t-butyl-2-nitrophenol PubChem CID: 18661 IUPAC Name: 4-tert-butyl-2-nitrophenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)[N+](=O)[O-]

PubChem CID 18661
CAS 3279-07-0
Molecular Weight (g/mol) 195.218
MDL Number MFCD00191888
SMILES CC(C)(C)C1=CC(=C(C=C1)O)[N+](=O)[O-]
Synonym 2-nitro-4-tert-butylphenol,4-tert-butyl-2-nitrophenol,phenol, 4-1,1-dimethylethyl-2-nitro,4-tert.-butyl-2-nitrophenol,acmc-209hvt,o-nitro-p-t-butyl-phenol,2-nitro-4-t-butyl phenol,4-t-butyl-2-nitro-phenol,4-t-butyl-2-nitrophenol
IUPAC Name 4-tert-butyl-2-nitrophenol
InChI Key IHGNADPMUSNTJW-UHFFFAOYSA-N
Molecular Formula C10H13NO3
7

2,6-Dihydroxybenzoic Acid 98.0+%, TCI America™

CAS: 303-07-1 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002462 InChI Key: AKEUNCKRJATALU-UHFFFAOYSA-N Synonym: gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid PubChem CID: 9338 ChEBI: CHEBI:68465 IUPAC Name: 2,6-dihydroxybenzoic acid SMILES: OC(=O)C1=C(O)C=CC=C1O

PubChem CID 9338
CAS 303-07-1
Molecular Weight (g/mol) 154.12
ChEBI CHEBI:68465
MDL Number MFCD00002462
SMILES OC(=O)C1=C(O)C=CC=C1O
Synonym gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid
IUPAC Name 2,6-dihydroxybenzoic acid
InChI Key AKEUNCKRJATALU-UHFFFAOYSA-N
Molecular Formula C7H6O4
8

4,5-Dimethoxy-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 4998-07-6 Molecular Formula: C9H8NO6 Molecular Weight (g/mol): 226.17 MDL Number: MFCD00014697 InChI Key: WWCMFGBGMJAJRX-UHFFFAOYSA-M Synonym: 4,5-dimethoxy-2-nitrobenzoic acid,6-nitroveratric acid,3,4-dimethoxy-6-nitrobenzoic acid,benzoic acid, 4,5-dimethoxy-2-nitro,zlchem 681,acmc-2097gn,ksc496i5r,4,5-dimethoxy-2-nitrobenzoicacid,2-nitro-4,5-dimethoxybenzoic acid,4,5-dimethoxy-2-nitro-benzoic acid PubChem CID: 78690 SMILES: COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC

PubChem CID 78690
CAS 4998-07-6
Molecular Weight (g/mol) 226.17
MDL Number MFCD00014697
SMILES COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC
Synonym 4,5-dimethoxy-2-nitrobenzoic acid,6-nitroveratric acid,3,4-dimethoxy-6-nitrobenzoic acid,benzoic acid, 4,5-dimethoxy-2-nitro,zlchem 681,acmc-2097gn,ksc496i5r,4,5-dimethoxy-2-nitrobenzoicacid,2-nitro-4,5-dimethoxybenzoic acid,4,5-dimethoxy-2-nitro-benzoic acid
InChI Key WWCMFGBGMJAJRX-UHFFFAOYSA-M
Molecular Formula C9H8NO6
9

4-Chloro-2-methylbenzoic Acid 98.0+%, TCI America™

CAS: 7499-07-2 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00045852 InChI Key: XXFKOBGFMUIWDH-UHFFFAOYSA-N Synonym: 4-chloro-2-methylbenzoicacid,4-chloro-o-toluic acid,benzoic acid, 4-chloro-2-methyl,2-methyl-4-chlorobenzoic acid,4-chloro-2-methyl-benzoic acid,pubchem4570,acmc-1bjnb,o-toluic acid, 4-chloro,ksc497q4r,4-chloro-2-methylbenzoic acid PubChem CID: 348269 IUPAC Name: 4-chloro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Cl)C(=O)O

PubChem CID 348269
CAS 7499-07-2
Molecular Weight (g/mol) 170.59
MDL Number MFCD00045852
SMILES CC1=C(C=CC(=C1)Cl)C(=O)O
Synonym 4-chloro-2-methylbenzoicacid,4-chloro-o-toluic acid,benzoic acid, 4-chloro-2-methyl,2-methyl-4-chlorobenzoic acid,4-chloro-2-methyl-benzoic acid,pubchem4570,acmc-1bjnb,o-toluic acid, 4-chloro,ksc497q4r,4-chloro-2-methylbenzoic acid
IUPAC Name 4-chloro-2-methylbenzoic acid
InChI Key XXFKOBGFMUIWDH-UHFFFAOYSA-N
Molecular Formula C8H7ClO2
10

2,4-Dichlorophenylacetone 98.0+%, TCI America™

CAS: 93457-07-9 Molecular Formula: C9H8Cl2O Molecular Weight (g/mol): 203.06 MDL Number: MFCD00210405 InChI Key: ITVVHXZQWSCZBC-UHFFFAOYSA-N Synonym: 2,4-dichlorophenylacetone,1-2,4-dichlorophenyl propan-2-one,1-2,4-dichlorophenyl-2-propanone,1-2,4-dichlorophenyl acetone,acmc-209rlw,ghl.pd_mitscher_leg0.657,2,4-dichlorophenyl-2-propanone,1-2,4-dichlorophenyl-propan-2-one PubChem CID: 2734102 IUPAC Name: 1-(2,4-dichlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(Cl)C=C1Cl

PubChem CID 2734102
CAS 93457-07-9
Molecular Weight (g/mol) 203.06
MDL Number MFCD00210405
SMILES CC(=O)CC1=CC=C(Cl)C=C1Cl
Synonym 2,4-dichlorophenylacetone,1-2,4-dichlorophenyl propan-2-one,1-2,4-dichlorophenyl-2-propanone,1-2,4-dichlorophenyl acetone,acmc-209rlw,ghl.pd_mitscher_leg0.657,2,4-dichlorophenyl-2-propanone,1-2,4-dichlorophenyl-propan-2-one
IUPAC Name 1-(2,4-dichlorophenyl)propan-2-one
InChI Key ITVVHXZQWSCZBC-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O
11

2,3-Difluorophenetole 98.0+%, TCI America™

CAS: 121219-07-6 Molecular Formula: C8H8F2O Molecular Weight (g/mol): 158.148 MDL Number: MFCD07368737 InChI Key: AVOGLGBKOFOSBN-UHFFFAOYSA-N Synonym: 1-Ethoxy-2,3-difluorobenzene PubChem CID: 2782928 IUPAC Name: 1-ethoxy-2,3-difluorobenzene SMILES: CCOC1=C(C(=CC=C1)F)F

PubChem CID 2782928
CAS 121219-07-6
Molecular Weight (g/mol) 158.148
MDL Number MFCD07368737
SMILES CCOC1=C(C(=CC=C1)F)F
Synonym 1-Ethoxy-2,3-difluorobenzene
IUPAC Name 1-ethoxy-2,3-difluorobenzene
InChI Key AVOGLGBKOFOSBN-UHFFFAOYSA-N
Molecular Formula C8H8F2O
12

1-Bromo-2-isopropoxybenzene 97.0+%, TCI America™

CAS: 701-07-5 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD00070759 InChI Key: MMORVPBHAHXAHH-UHFFFAOYSA-N Synonym: 1-bromo-2-isopropoxybenzene,2-2'-bromophenoxy propane,1-bromo-2-propan-2-yloxy benzene,1-bromo-2-isopropoxy benzene,2-2-bromophenoxy propane,o-bromoisopropoxybenzene,2-bromoisopropoxybenzene,1-bromo-2-1-methylethoxy benzene,2-bromophenyl isopropyl ether,pubchem3828 PubChem CID: 21925427 IUPAC Name: 1-bromo-2-propan-2-yloxybenzene SMILES: CC(C)OC1=CC=CC=C1Br

PubChem CID 21925427
CAS 701-07-5
Molecular Weight (g/mol) 215.09
MDL Number MFCD00070759
SMILES CC(C)OC1=CC=CC=C1Br
Synonym 1-bromo-2-isopropoxybenzene,2-2'-bromophenoxy propane,1-bromo-2-propan-2-yloxy benzene,1-bromo-2-isopropoxy benzene,2-2-bromophenoxy propane,o-bromoisopropoxybenzene,2-bromoisopropoxybenzene,1-bromo-2-1-methylethoxy benzene,2-bromophenyl isopropyl ether,pubchem3828
IUPAC Name 1-bromo-2-propan-2-yloxybenzene
InChI Key MMORVPBHAHXAHH-UHFFFAOYSA-N
Molecular Formula C9H11BrO
13

2,4-Difluorobenzyl Bromide 98.0+%, TCI America™

CAS: 23915-07-3 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.018 MDL Number: MFCD00011649 InChI Key: IBLMYGXJKQIGSN-UHFFFAOYSA-N Synonym: 2,4-difluorobenzyl bromide,1-bromomethyl-2,4-difluorobenzene,2,4-difluorobenzylbromide,alpha-bromo-2,4-difluorotoluene,benzene, 1-bromomethyl-2,4-difluoro,2,4-difluoro benzyl bromide,1-bromomethyl-2,4-difluoro-benzene,2-chloromethyl quinoline hcl salt,fr cf d1e,pubchem4911 PubChem CID: 90297 IUPAC Name: 1-(bromomethyl)-2,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)F)CBr

PubChem CID 90297
CAS 23915-07-3
Molecular Weight (g/mol) 207.018
MDL Number MFCD00011649
SMILES C1=CC(=C(C=C1F)F)CBr
Synonym 2,4-difluorobenzyl bromide,1-bromomethyl-2,4-difluorobenzene,2,4-difluorobenzylbromide,alpha-bromo-2,4-difluorotoluene,benzene, 1-bromomethyl-2,4-difluoro,2,4-difluoro benzyl bromide,1-bromomethyl-2,4-difluoro-benzene,2-chloromethyl quinoline hcl salt,fr cf d1e,pubchem4911
IUPAC Name 1-(bromomethyl)-2,4-difluorobenzene
InChI Key IBLMYGXJKQIGSN-UHFFFAOYSA-N
Molecular Formula C7H5BrF2
14

2,5-Difluorobenzyl Chloride 98.0+%, TCI America™

CAS: 495-07-8 Molecular Formula: C7H5ClF2 Molecular Weight (g/mol): 162.564 MDL Number: MFCD01090989 InChI Key: INXKTZMJFPRVAY-UHFFFAOYSA-N Synonym: 2,5-difluorobenzyl chloride,2-chloromethyl-1,4-difluorobenzene,2,5-difluorobenzylchloride,alpha-chloro-2,5-difluorotoluene,benzene, 2-chloromethyl-1,4-difluoro,2-chloromethyl-1,4-bis fluoranyl benzene,2-chloromethyl-1,4-difluoro-benzene,acmc-1an3f,ksc591g4f PubChem CID: 2736950 IUPAC Name: 2-(chloromethyl)-1,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)CCl)F

PubChem CID 2736950
CAS 495-07-8
Molecular Weight (g/mol) 162.564
MDL Number MFCD01090989
SMILES C1=CC(=C(C=C1F)CCl)F
Synonym 2,5-difluorobenzyl chloride,2-chloromethyl-1,4-difluorobenzene,2,5-difluorobenzylchloride,alpha-chloro-2,5-difluorotoluene,benzene, 2-chloromethyl-1,4-difluoro,2-chloromethyl-1,4-bis fluoranyl benzene,2-chloromethyl-1,4-difluoro-benzene,acmc-1an3f,ksc591g4f
IUPAC Name 2-(chloromethyl)-1,4-difluorobenzene
InChI Key INXKTZMJFPRVAY-UHFFFAOYSA-N
Molecular Formula C7H5ClF2
15

3,4-Dimethoxybenzoic Acid 98.0+%, TCI America™

CAS: 93-07-2 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002500 InChI Key: DAUAQNGYDSHRET-UHFFFAOYSA-N Synonym: veratric acid,benzoic acid, 3,4-dimethoxy,dimethylprotocatechuic acid,veratrylic acid,3,4-dimethylprotocatechuic acid,veratrumenoic acid,3,4-dimethoxy-benzoic acid,unii-1yy04e7rr4,3,4-dimethoxybenzoes PubChem CID: 7121 ChEBI: CHEBI:296881 IUPAC Name: 3,4-dimethoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)OC

PubChem CID 7121
CAS 93-07-2
Molecular Weight (g/mol) 182.175
ChEBI CHEBI:296881
MDL Number MFCD00002500
SMILES COC1=C(C=C(C=C1)C(=O)O)OC
Synonym veratric acid,benzoic acid, 3,4-dimethoxy,dimethylprotocatechuic acid,veratrylic acid,3,4-dimethylprotocatechuic acid,veratrumenoic acid,3,4-dimethoxy-benzoic acid,unii-1yy04e7rr4,3,4-dimethoxybenzoes
IUPAC Name 3,4-dimethoxybenzoic acid
InChI Key DAUAQNGYDSHRET-UHFFFAOYSA-N
Molecular Formula C9H10O4