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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 (24)
Aminobenzoic acids and derivatives (20)
Fluorobenzenes (13)
Benzyl Derivatives (7)
Bromobenzenes (6)
Nitrobenzoic acids and derivatives (6)
Phenylpropenes (6)
Trifluoromethylbenzenes (6)
Benzoyl derivatives (4)
Phenylmethylamines (4)
Benzoic acid esters (3)
Cumenes (3)
Diphenylethers (3)
Diphenylmethanes (3)
Phthalic acid and derivatives (3)
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Methoxybenzenes (2)
Aminotoluenes (1)
Aniline and substituted anilines (1)
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1

eMolecules​ 2,4,6-Tribromobenzene-1,3,5-triol | 3354-82-3 | MFCD01706660 | 1g

Ambeed | 2,4,6-Tribromobenzene-1,3,5-triol | 1g | 600847489 | A771030 | | 3354-82-3 | MFCD01706660 | 362.799 | C6H3Br3O3

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2

3-Fluorobenzylamine 98.0+%, TCI America™

CAS: 100-82-3 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 InChI Key: QVSVMNXRLWSNGS-UHFFFAOYSA-N Synonym: 3-fluorobenzylamine,3-fluorophenyl methanamine,m-fluorobenzylamine,benzenemethanamine, 3-fluoro,1-3-fluorophenyl methanamine,3-fluoro-benzylamine,benzylamine, m-fluoro,3-fluorophenyl methylamine,m-fluorobenzyl amine,3-fluorobenzyl amine PubChem CID: 66853 IUPAC Name: (3-fluorophenyl)methanamine SMILES: C1=CC(=CC(=C1)F)CN

PubChem CID 66853
CAS 100-82-3
Molecular Weight (g/mol) 125.146
SMILES C1=CC(=CC(=C1)F)CN
Synonym 3-fluorobenzylamine,3-fluorophenyl methanamine,m-fluorobenzylamine,benzenemethanamine, 3-fluoro,1-3-fluorophenyl methanamine,3-fluoro-benzylamine,benzylamine, m-fluoro,3-fluorophenyl methylamine,m-fluorobenzyl amine,3-fluorobenzyl amine
IUPAC Name (3-fluorophenyl)methanamine
InChI Key QVSVMNXRLWSNGS-UHFFFAOYSA-N
Molecular Formula C7H8FN
3

4-Phenoxyphenol 99.0+%, TCI America™

CAS: 831-82-3 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00002331 InChI Key: ZSBDGXGICLIJGD-UHFFFAOYSA-N Synonym: p-phenoxyphenol,4-hydroxydiphenyl ether,phenol, 4-phenoxy,p-hydroxydiphenyl ether,phenol, p-phenoxy,hydroquinone monophenyl ether,unii-d83r742gjr,4-phenyloxy phenol,4-phenoxy phenol,4-phenoxy-phenol PubChem CID: 13254 ChEBI: CHEBI:39264 IUPAC Name: 4-phenoxyphenol SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)O

PubChem CID 13254
CAS 831-82-3
Molecular Weight (g/mol) 186.21
ChEBI CHEBI:39264
MDL Number MFCD00002331
SMILES C1=CC=C(C=C1)OC2=CC=C(C=C2)O
Synonym p-phenoxyphenol,4-hydroxydiphenyl ether,phenol, 4-phenoxy,p-hydroxydiphenyl ether,phenol, p-phenoxy,hydroquinone monophenyl ether,unii-d83r742gjr,4-phenyloxy phenol,4-phenoxy phenol,4-phenoxy-phenol
IUPAC Name 4-phenoxyphenol
InChI Key ZSBDGXGICLIJGD-UHFFFAOYSA-N
Molecular Formula C12H10O2
4

2,5-Dibromoterephthalic Acid 98.0+%, TCI America™

CAS: 13731-82-3 Molecular Formula: C8H4Br2O4 Molecular Weight (g/mol): 323.92 MDL Number: MFCD00204593 InChI Key: VUTICWRXMKBOSF-UHFFFAOYSA-N Synonym: 2,5-dibromoterephtalic acid,2,5-dibromobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2,5-dibromo,pubchem14888,1, 2,5-dibromo,maybridge1_002153,2,5-dibromoterephtalicacid,2,5-dibromoterephthalicacid,acmc-1cb24,ksc174o0t PubChem CID: 83690 IUPAC Name: 2,5-dibromobenzene-1,4-dicarboxylic acid SMILES: OC(=O)C1=CC(Br)=C(C=C1Br)C(O)=O

PubChem CID 83690
CAS 13731-82-3
Molecular Weight (g/mol) 323.92
MDL Number MFCD00204593
SMILES OC(=O)C1=CC(Br)=C(C=C1Br)C(O)=O
Synonym 2,5-dibromoterephtalic acid,2,5-dibromobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2,5-dibromo,pubchem14888,1, 2,5-dibromo,maybridge1_002153,2,5-dibromoterephtalicacid,2,5-dibromoterephthalicacid,acmc-1cb24,ksc174o0t
IUPAC Name 2,5-dibromobenzene-1,4-dicarboxylic acid
InChI Key VUTICWRXMKBOSF-UHFFFAOYSA-N
Molecular Formula C8H4Br2O4
5

4-Bromo-2-fluorobenzyl Chloride 98.0+%, TCI America™

CAS: 85510-82-3 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD02094036 InChI Key: UDKQGFMDBMYVHI-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl chloride,4-bromo-1-chloromethyl-2-fluorobenzene,4-bromo-2-fluorobenzylchloride,4-bromo-1-chloromethyl-2-fluoro-benzene,acmc-209q6a,2-fluoro-4-bromo-chloromethylbenzene PubChem CID: 2773361 IUPAC Name: 4-bromo-1-(chloromethyl)-2-fluorobenzene SMILES: FC1=CC(Br)=CC=C1CCl

PubChem CID 2773361
CAS 85510-82-3
Molecular Weight (g/mol) 223.47
MDL Number MFCD02094036
SMILES FC1=CC(Br)=CC=C1CCl
Synonym 4-bromo-2-fluorobenzyl chloride,4-bromo-1-chloromethyl-2-fluorobenzene,4-bromo-2-fluorobenzylchloride,4-bromo-1-chloromethyl-2-fluoro-benzene,acmc-209q6a,2-fluoro-4-bromo-chloromethylbenzene
IUPAC Name 4-bromo-1-(chloromethyl)-2-fluorobenzene
InChI Key UDKQGFMDBMYVHI-UHFFFAOYSA-N
Molecular Formula C7H5BrClF
6

4-Hydroxy-3-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 616-82-0 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007119 InChI Key: QRYSWXFQLFLJTC-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p PubChem CID: 12033 IUPAC Name: 4-hydroxy-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O

PubChem CID 12033
CAS 616-82-0
Molecular Weight (g/mol) 183.12
MDL Number MFCD00007119
SMILES OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O
Synonym 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p
IUPAC Name 4-hydroxy-3-nitrobenzoic acid
InChI Key QRYSWXFQLFLJTC-UHFFFAOYSA-N
Molecular Formula C7H5NO5
7

1,2,3,5-Tetrafluorobenzene 98.0+%, TCI America™

CAS: 2367-82-0 Molecular Formula: C6H2F4 Molecular Weight (g/mol): 150.076 MDL Number: MFCD00000302 InChI Key: UHHYOKRQTQBKSB-UHFFFAOYSA-N Synonym: benzene, 1,2,3,5-tetrafluoro,unii-bv201pz5tv,bv201pz5tv,1,2,3,5 tetrafluorobenzene,pubchem1062,acmc-1carr,intermediates-zcf02631,1,2,4,6-tetrafluorobenzene,1,3,4,5-tetrafluorobenzene,1,2,3,5,-tetrafluorobenzene PubChem CID: 16910 IUPAC Name: 1,2,3,5-tetrafluorobenzene SMILES: C1=C(C=C(C(=C1F)F)F)F

PubChem CID 16910
CAS 2367-82-0
Molecular Weight (g/mol) 150.076
MDL Number MFCD00000302
SMILES C1=C(C=C(C(=C1F)F)F)F
Synonym benzene, 1,2,3,5-tetrafluoro,unii-bv201pz5tv,bv201pz5tv,1,2,3,5 tetrafluorobenzene,pubchem1062,acmc-1carr,intermediates-zcf02631,1,2,4,6-tetrafluorobenzene,1,3,4,5-tetrafluorobenzene,1,2,3,5,-tetrafluorobenzene
IUPAC Name 1,2,3,5-tetrafluorobenzene
InChI Key UHHYOKRQTQBKSB-UHFFFAOYSA-N
Molecular Formula C6H2F4
8

3,4,5-Trimethoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 951-82-6 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.228 MDL Number: MFCD00004336 InChI Key: DDSJXCGGOXKGSJ-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy PubChem CID: 70372 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O

PubChem CID 70372
CAS 951-82-6
Molecular Weight (g/mol) 226.228
MDL Number MFCD00004336
SMILES COC1=CC(=CC(=C1OC)OC)CC(=O)O
Synonym 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy
IUPAC Name 2-(3,4,5-trimethoxyphenyl)acetic acid
InChI Key DDSJXCGGOXKGSJ-UHFFFAOYSA-N
Molecular Formula C11H14O5
9

3-Hydroxyphenylurea 97.0+%, TCI America™

CAS: 701-82-6 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007945 InChI Key: IPRCBIWIPMJXIK-UHFFFAOYSA-N Synonym: 1-3-hydroxyphenyl urea,m-hydroxyphenylurea,3-ureidophenol,urea, 3-hydroxyphenyl,3-hydroxyphenyl urea,urea, m-hydroxyphenyl,urea, n-3-hydroxyphenyl,n-carbamyl-m-aminophenol,n-3-hydroxyphenyl urea,urea,n-3-hydroxyphenyl PubChem CID: 12796 IUPAC Name: (3-hydroxyphenyl)urea SMILES: C1=CC(=CC(=C1)O)NC(=O)N

PubChem CID 12796
CAS 701-82-6
Molecular Weight (g/mol) 152.153
MDL Number MFCD00007945
SMILES C1=CC(=CC(=C1)O)NC(=O)N
Synonym 1-3-hydroxyphenyl urea,m-hydroxyphenylurea,3-ureidophenol,urea, 3-hydroxyphenyl,3-hydroxyphenyl urea,urea, m-hydroxyphenyl,urea, n-3-hydroxyphenyl,n-carbamyl-m-aminophenol,n-3-hydroxyphenyl urea,urea,n-3-hydroxyphenyl
IUPAC Name (3-hydroxyphenyl)urea
InChI Key IPRCBIWIPMJXIK-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
10

2,3,5-Triiodobenzoic Acid 98.0+%, TCI America™

CAS: 88-82-4 Molecular Formula: C7H3I3O2 Molecular Weight (g/mol): 499.81 MDL Number: MFCD00002420 InChI Key: ZMZGFLUUZLELNE-UHFFFAOYSA-N Synonym: floraltone,tiba,triiodobenzoic acid,johnkolor,benzoic acid, 2,3,5-triiodo,2,3,5-tiba,caswell no. 890a,triiodobenzoic acid van,regin 8,kyselina 2,3,5-trijodbenzoova PubChem CID: 6948 ChEBI: CHEBI:73175 IUPAC Name: 2,3,5-triiodobenzoic acid SMILES: OC(=O)C1=CC(I)=CC(I)=C1I

PubChem CID 6948
CAS 88-82-4
Molecular Weight (g/mol) 499.81
ChEBI CHEBI:73175
MDL Number MFCD00002420
SMILES OC(=O)C1=CC(I)=CC(I)=C1I
Synonym floraltone,tiba,triiodobenzoic acid,johnkolor,benzoic acid, 2,3,5-triiodo,2,3,5-tiba,caswell no. 890a,triiodobenzoic acid van,regin 8,kyselina 2,3,5-trijodbenzoova
IUPAC Name 2,3,5-triiodobenzoic acid
InChI Key ZMZGFLUUZLELNE-UHFFFAOYSA-N
Molecular Formula C7H3I3O2
11

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

CAS: 5162-82-3 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00045841 InChI Key: SDKUOEOJAXGCLU-UHFFFAOYSA-N Synonym: 3-chloro-p-toluic acid,p-toluic acid, 3-chloro,benzoic acid, 3-chloro-4-methyl,3-chloro-4-methyl-benzoic acid,3-chloro-4-methyl benzoic acid,pubchem4569,acmc-1ayqf,4-09-00-01743 beilstein handbook reference,ksc272s4h,3-chloro,4-methylbenzoic acid PubChem CID: 78840 IUPAC Name: 3-chloro-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)Cl

PubChem CID 78840
CAS 5162-82-3
Molecular Weight (g/mol) 170.592
MDL Number MFCD00045841
SMILES CC1=C(C=C(C=C1)C(=O)O)Cl
Synonym 3-chloro-p-toluic acid,p-toluic acid, 3-chloro,benzoic acid, 3-chloro-4-methyl,3-chloro-4-methyl-benzoic acid,3-chloro-4-methyl benzoic acid,pubchem4569,acmc-1ayqf,4-09-00-01743 beilstein handbook reference,ksc272s4h,3-chloro,4-methylbenzoic acid
IUPAC Name 3-chloro-4-methylbenzoic acid
InChI Key SDKUOEOJAXGCLU-UHFFFAOYSA-N
Molecular Formula C8H7ClO2
12

Methyl 3-Methyl-2-nitrobenzoate 98.0+%, TCI America™

CAS: 5471-82-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD01003947 InChI Key: NJHDBIXFFZVJGZ-UHFFFAOYSA-N Synonym: methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate PubChem CID: 79621 IUPAC Name: methyl 3-methyl-2-nitrobenzoate SMILES: CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC

PubChem CID 79621
CAS 5471-82-9
Molecular Weight (g/mol) 195.174
MDL Number MFCD01003947
SMILES CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC
Synonym methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate
IUPAC Name methyl 3-methyl-2-nitrobenzoate
InChI Key NJHDBIXFFZVJGZ-UHFFFAOYSA-N
Molecular Formula C9H9NO4
13

3,4,5-Trichlorobenzotrifluoride 98.0+%, TCI America™

CAS: 50594-82-6 Molecular Formula: C7H2Cl3F3 Molecular Weight (g/mol): 249.438 InChI Key: FBKFIAIRSQOXJR-UHFFFAOYSA-N Synonym: 1,2,3-trichloro-5-trifluoromethyl benzene,3,4,5-trichlorobenzotrifluoride,3,4,5-trichlorotrifluoromethylbenzene,3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene,3,4,5-trichloro-a,a,a-trifluorotoluene,benzene, 1,2,3-trichloro-5-trifluoromethyl,pubchem19737,ksc914i9j,3,4,5-trichloro benzotrifluoride PubChem CID: 2733399 IUPAC Name: 1,2,3-trichloro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)C(F)(F)F

PubChem CID 2733399
CAS 50594-82-6
Molecular Weight (g/mol) 249.438
SMILES C1=C(C=C(C(=C1Cl)Cl)Cl)C(F)(F)F
Synonym 1,2,3-trichloro-5-trifluoromethyl benzene,3,4,5-trichlorobenzotrifluoride,3,4,5-trichlorotrifluoromethylbenzene,3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene,3,4,5-trichloro-a,a,a-trifluorotoluene,benzene, 1,2,3-trichloro-5-trifluoromethyl,pubchem19737,ksc914i9j,3,4,5-trichloro benzotrifluoride
IUPAC Name 1,2,3-trichloro-5-(trifluoromethyl)benzene
InChI Key FBKFIAIRSQOXJR-UHFFFAOYSA-N
Molecular Formula C7H2Cl3F3
14

Ethyl 3,5-Dichloro-4-hydroxybenzoate 98.0+%, TCI America™

CAS: 17302-82-8 Molecular Formula: C9H8Cl2O3 Molecular Weight (g/mol): 235.06 MDL Number: MFCD00016420 InChI Key: WMKNGSJJEMFQOT-UHFFFAOYSA-N Synonym: 3,5-dichloro-4-hydroxybenzoic acid ethyl ester,benzoic acid, 3,5-dichloro-4-hydroxy-, ethyl ester,3,5-dichloro-4-hydroxy-benzoic acid ethyl ester,acmc-209e5q,3-10-00-00363 beilstein handbook reference,wln: qr bg fg dvo2,ethyl 3,5-dichloro-4-hydroxy-benzoate,ethyl 3,5-bis chloranyl-4-oxidanyl-benzoate,benzoic acid,5-dichloro-4-hydroxy-, ethyl ester PubChem CID: 28460 IUPAC Name: ethyl 3,5-dichloro-4-hydroxybenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl

PubChem CID 28460
CAS 17302-82-8
Molecular Weight (g/mol) 235.06
MDL Number MFCD00016420
SMILES CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl
Synonym 3,5-dichloro-4-hydroxybenzoic acid ethyl ester,benzoic acid, 3,5-dichloro-4-hydroxy-, ethyl ester,3,5-dichloro-4-hydroxy-benzoic acid ethyl ester,acmc-209e5q,3-10-00-00363 beilstein handbook reference,wln: qr bg fg dvo2,ethyl 3,5-dichloro-4-hydroxy-benzoate,ethyl 3,5-bis chloranyl-4-oxidanyl-benzoate,benzoic acid,5-dichloro-4-hydroxy-, ethyl ester
IUPAC Name ethyl 3,5-dichloro-4-hydroxybenzoate
InChI Key WMKNGSJJEMFQOT-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O3
15

Methyl 3,4-Dihydroxy-2-methylbenzoate 98.0+%, TCI America™

CAS: 740799-82-0 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD16250128 InChI Key: ONNFZKHTMFVKNY-UHFFFAOYSA-N Synonym: 3,4-Dihydroxy-2-methylbenzoic Acid Methyl Ester PubChem CID: 59016598 IUPAC Name: methyl 3,4-dihydroxy-2-methylbenzoate SMILES: COC(=O)C1=C(C)C(O)=C(O)C=C1

PubChem CID 59016598
CAS 740799-82-0
Molecular Weight (g/mol) 182.18
MDL Number MFCD16250128
SMILES COC(=O)C1=C(C)C(O)=C(O)C=C1
Synonym 3,4-Dihydroxy-2-methylbenzoic Acid Methyl Ester
IUPAC Name methyl 3,4-dihydroxy-2-methylbenzoate
InChI Key ONNFZKHTMFVKNY-UHFFFAOYSA-N
Molecular Formula C9H10O4