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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 (25)
Hydroxybenzoic Acid Derivatives (19)
Fluorobenzenes (10)
Benzyl Derivatives (9)
Phenoxy compounds (8)
Phenylpropenes (8)
Aniline and substituted anilines (4)
Benzoyl derivatives (4)
Bromobenzenes (4)
Methoxybenzenes (4)
Phenylmethylamines (3)
Trifluoromethylbenzenes (3)
Iodobenzenes (2)
Methoxybenzoic acids and derivatives (2)
Phenylbutylamines (2)
Acylaminobenzoic acid and derivatives (1)
Diphenylmethanes (1)
Nitrobenzoic acids and derivatives (1)
Phenylacetic acids (1)
Phenylcarbamic acid esters (1)
Phenylhydrazines (1)
Phenylphosphines and derivatives (1)
Phenylpropanes (1)
Styrenes (1)

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1 – 15 of 104 results
1

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

CAS: 4393-09-3 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.21 MDL Number: MFCD00052392 InChI Key: LVMPWFJVYMXSNY-UHFFFAOYSA-N Synonym: 2,3-dimethoxybenzylamine,2,3-dimethoxyphenyl methanamine,1-2,3-dimethoxyphenyl methanamine,benzenemethanamine, 2,3-dimethoxy,2,3-dimethoxy-benzylamine,2,3-dimethoxy benzylamine,pubchem7399,2,3-dimethoxybenzyl amine,acmc-2097fc PubChem CID: 78106 IUPAC Name: (2,3-dimethoxyphenyl)methanamine SMILES: COC1=CC=CC(=C1OC)CN

PubChem CID 78106
CAS 4393-09-3
Molecular Weight (g/mol) 167.21
MDL Number MFCD00052392
SMILES COC1=CC=CC(=C1OC)CN
Synonym 2,3-dimethoxybenzylamine,2,3-dimethoxyphenyl methanamine,1-2,3-dimethoxyphenyl methanamine,benzenemethanamine, 2,3-dimethoxy,2,3-dimethoxy-benzylamine,2,3-dimethoxy benzylamine,pubchem7399,2,3-dimethoxybenzyl amine,acmc-2097fc
IUPAC Name (2,3-dimethoxyphenyl)methanamine
InChI Key LVMPWFJVYMXSNY-UHFFFAOYSA-N
Molecular Formula C9H13NO2
2

3-Methoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 1798-09-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004334 InChI Key: LEGPZHPSIPPYIO-UHFFFAOYSA-N Synonym: 3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my PubChem CID: 15719 IUPAC Name: 2-(3-methoxyphenyl)acetic acid SMILES: COC1=CC=CC(=C1)CC(=O)O

PubChem CID 15719
CAS 1798-09-0
Molecular Weight (g/mol) 166.176
MDL Number MFCD00004334
SMILES COC1=CC=CC(=C1)CC(=O)O
Synonym 3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my
IUPAC Name 2-(3-methoxyphenyl)acetic acid
InChI Key LEGPZHPSIPPYIO-UHFFFAOYSA-N
Molecular Formula C9H10O3
3

3-Bromobenzoyl Chloride 98.0+%, TCI America™

CAS: 1711-09-7 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00000669 InChI Key: PBOOZQFGWNZNQE-UHFFFAOYSA-N Synonym: m-bromobenzoyl chloride,benzoyl chloride, 3-bromo,3-bromobenzoylchloride,benzoyl chloride, m-bromo,3-bromobenzoic acid chloride,attercop-chm at106527,3-brom-benzoylchlorid,3-bromo-benzoylchlorid,3-bromobenzoic chloride,pubchem13574 PubChem CID: 74377 IUPAC Name: 3-bromobenzoyl chloride SMILES: C1=CC(=CC(=C1)Br)C(=O)Cl

PubChem CID 74377
CAS 1711-09-7
Molecular Weight (g/mol) 219.462
MDL Number MFCD00000669
SMILES C1=CC(=CC(=C1)Br)C(=O)Cl
Synonym m-bromobenzoyl chloride,benzoyl chloride, 3-bromo,3-bromobenzoylchloride,benzoyl chloride, m-bromo,3-bromobenzoic acid chloride,attercop-chm at106527,3-brom-benzoylchlorid,3-bromo-benzoylchlorid,3-bromobenzoic chloride,pubchem13574
IUPAC Name 3-bromobenzoyl chloride
InChI Key PBOOZQFGWNZNQE-UHFFFAOYSA-N
Molecular Formula C7H4BrClO
4

2,3,5-Trifluorobenzonitrile 97.0+%, TCI America™

CAS: 241154-09-6 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.095 MDL Number: MFCD00083539 InChI Key: MMPKVFQMDMBXSG-UHFFFAOYSA-N Synonym: benzonitrile, 2,3,5-trifluoro,2,3,5-trifluorobenzenecarbonitrile,pubchem4823,intermediates-zcf02648,ksc552s4h,2,3,5-trifluoro-benzonitrile,benzonitrile,2,3,5-trifluoro,2,3,5-trifluoro benzonitrile PubChem CID: 2776998 IUPAC Name: 2,3,5-trifluorobenzonitrile SMILES: C1=C(C=C(C(=C1F)F)C#N)F

PubChem CID 2776998
CAS 241154-09-6
Molecular Weight (g/mol) 157.095
MDL Number MFCD00083539
SMILES C1=C(C=C(C(=C1F)F)C#N)F
Synonym benzonitrile, 2,3,5-trifluoro,2,3,5-trifluorobenzenecarbonitrile,pubchem4823,intermediates-zcf02648,ksc552s4h,2,3,5-trifluoro-benzonitrile,benzonitrile,2,3,5-trifluoro,2,3,5-trifluoro benzonitrile
IUPAC Name 2,3,5-trifluorobenzonitrile
InChI Key MMPKVFQMDMBXSG-UHFFFAOYSA-N
Molecular Formula C7H2F3N
5

(3,4-Dimethoxybenzyl)triphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 70219-09-9 Molecular Formula: C27H26BrO2P Molecular Weight (g/mol): 493.381 InChI Key: BLALYSCMLUQKSG-UHFFFAOYSA-M PubChem CID: 11049284 IUPAC Name: (3,4-dimethoxyphenyl)methyl-triphenylphosphanium;bromide SMILES: COC1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Br-]

PubChem CID 11049284
CAS 70219-09-9
Molecular Weight (g/mol) 493.381
SMILES COC1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Br-]
IUPAC Name (3,4-dimethoxyphenyl)methyl-triphenylphosphanium;bromide
InChI Key BLALYSCMLUQKSG-UHFFFAOYSA-M
Molecular Formula C27H26BrO2P
6

2,4-Difluorophenylacetic Acid 98.0+%, TCI America™

CAS: 81228-09-3 Molecular Formula: C8H5F2O2 Molecular Weight (g/mol): 171.12 MDL Number: MFCD00009999 InChI Key: QPKZIGHNRLZBCL-UHFFFAOYSA-M Synonym: 2,4-difluorophenylacetic acid,2-2,4-difluorophenyl acetic acid,benzeneacetic acid, 2,4-difluoro,2,4-difluorophenyl acetic acid,2,4-ddifluorophenylacetic acid,rarechem al bo 0247,2,4-difluoro-phenyl-acetic acid,2,4-difluorobenzeneacetic acid,2,4-difluorophenylaceticacid PubChem CID: 123581 IUPAC Name: 2-(2,4-difluorophenyl)acetate SMILES: [O-]C(=O)CC1=CC=C(F)C=C1F

PubChem CID 123581
CAS 81228-09-3
Molecular Weight (g/mol) 171.12
MDL Number MFCD00009999
SMILES [O-]C(=O)CC1=CC=C(F)C=C1F
Synonym 2,4-difluorophenylacetic acid,2-2,4-difluorophenyl acetic acid,benzeneacetic acid, 2,4-difluoro,2,4-difluorophenyl acetic acid,2,4-ddifluorophenylacetic acid,rarechem al bo 0247,2,4-difluoro-phenyl-acetic acid,2,4-difluorobenzeneacetic acid,2,4-difluorophenylaceticacid
IUPAC Name 2-(2,4-difluorophenyl)acetate
InChI Key QPKZIGHNRLZBCL-UHFFFAOYSA-M
Molecular Formula C8H5F2O2
7

3-Chloro-p-anisaldehyde 98.0+%, TCI America™

CAS: 4903-09-7 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 InChI Key: WYVGYYIZXPXHAZ-UHFFFAOYSA-N Synonym: 3-chloroanisaldehyde,3-chloro-p-anisaldehyde,benzaldehyde, 3-chloro-4-methoxy,3-chloro-4-methoxybenzenecarbaldehyde,3-chloro-4-methoxy-benzaldehyde,pubchem2638,acmc-1ap2w,3-chloro-4-methoxybenzaldehyde PubChem CID: 78619 IUPAC Name: 3-chloro-4-methoxybenzaldehyde SMILES: COC1=C(C=C(C=C1)C=O)Cl

PubChem CID 78619
CAS 4903-09-7
Molecular Weight (g/mol) 170.59
SMILES COC1=C(C=C(C=C1)C=O)Cl
Synonym 3-chloroanisaldehyde,3-chloro-p-anisaldehyde,benzaldehyde, 3-chloro-4-methoxy,3-chloro-4-methoxybenzenecarbaldehyde,3-chloro-4-methoxy-benzaldehyde,pubchem2638,acmc-1ap2w,3-chloro-4-methoxybenzaldehyde
IUPAC Name 3-chloro-4-methoxybenzaldehyde
InChI Key WYVGYYIZXPXHAZ-UHFFFAOYSA-N
Molecular Formula C8H7ClO2
8

Cinnamoyl Chloride 97.0+%, TCI America™

CAS: 17082-09-6 Molecular Formula: C9H7ClO Molecular Weight (g/mol): 166.60 MDL Number: MFCD00000732 InChI Key: WOGITNXCNOTRLK-VOTSOKGWSA-N Synonym: cinnamoyl chloride,cinnamic acid chloride,cinnamic chloride,trans-3-phenylacryloyl chloride,2-propenoyl chloride, 3-phenyl,cinnamoylchloride,e-cinnamoyl chloride,trans-cinnamoyl chloride,2e-3-phenylprop-2-enoyl chloride,3-phenyl-2-propenoyl chloride PubChem CID: 5354261 IUPAC Name: (2E)-3-phenylprop-2-enoyl chloride SMILES: ClC(=O)\C=C\C1=CC=CC=C1

PubChem CID 5354261
CAS 17082-09-6
Molecular Weight (g/mol) 166.60
MDL Number MFCD00000732
SMILES ClC(=O)\C=C\C1=CC=CC=C1
Synonym cinnamoyl chloride,cinnamic acid chloride,cinnamic chloride,trans-3-phenylacryloyl chloride,2-propenoyl chloride, 3-phenyl,cinnamoylchloride,e-cinnamoyl chloride,trans-cinnamoyl chloride,2e-3-phenylprop-2-enoyl chloride,3-phenyl-2-propenoyl chloride
IUPAC Name (2E)-3-phenylprop-2-enoyl chloride
InChI Key WOGITNXCNOTRLK-VOTSOKGWSA-N
Molecular Formula C9H7ClO
9

3-Fluoro-5-(trifluoromethyl)benzyl Bromide 98.0+%, TCI America™

CAS: 239087-09-3 Molecular Formula: C8H5BrF4 Molecular Weight (g/mol): 257.026 MDL Number: MFCD00061175 InChI Key: LCVWAXYGYMZJER-UHFFFAOYSA-N Synonym: 3-fluoro-5-trifluoromethyl benzyl bromide,1-bromomethyl-3-fluoro-5-trifluoromethyl benzene,3-fluoro-5-trifluoromethylbenzyl bromide,3-fluoro-5-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-3-fluoro-5-trifluoromethyl,acmc-1cdjv,3-trifluoromethyl-5-fluorobenzyl bromide,3-fluoro-5-trifluoromethyl-benzyl bromide,5-bromomethyl-3-fluoro-1-trifluoromethyl benzene PubChem CID: 2737575 IUPAC Name: 1-(bromomethyl)-3-fluoro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)F)CBr

PubChem CID 2737575
CAS 239087-09-3
Molecular Weight (g/mol) 257.026
MDL Number MFCD00061175
SMILES C1=C(C=C(C=C1C(F)(F)F)F)CBr
Synonym 3-fluoro-5-trifluoromethyl benzyl bromide,1-bromomethyl-3-fluoro-5-trifluoromethyl benzene,3-fluoro-5-trifluoromethylbenzyl bromide,3-fluoro-5-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-3-fluoro-5-trifluoromethyl,acmc-1cdjv,3-trifluoromethyl-5-fluorobenzyl bromide,3-fluoro-5-trifluoromethyl-benzyl bromide,5-bromomethyl-3-fluoro-1-trifluoromethyl benzene
IUPAC Name 1-(bromomethyl)-3-fluoro-5-(trifluoromethyl)benzene
InChI Key LCVWAXYGYMZJER-UHFFFAOYSA-N
Molecular Formula C8H5BrF4
10

4-Methoxy-3-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™

CAS: 213598-09-5 Molecular Formula: C9H7F3O3 Molecular Weight (g/mol): 220.15 MDL Number: MFCD01091014 InChI Key: VNWUPESTVBTYJM-UHFFFAOYSA-N Synonym: 4-methoxy-3-trifluoromethyl benzoic acid,4-methoxy-3-trifluoromethyl-benzoic acid,acmc-1cr7h,3-trifluoromethyl-4-methoxybenzoic acid,benzoic acid, 4-methoxy-3-trifluoromethyl,4-methyloxy-3-trifluoromethyl benzoic acid PubChem CID: 2775295 IUPAC Name: 4-methoxy-3-(trifluoromethyl)benzoic acid SMILES: COC1=CC=C(C=C1C(F)(F)F)C(O)=O

PubChem CID 2775295
CAS 213598-09-5
Molecular Weight (g/mol) 220.15
MDL Number MFCD01091014
SMILES COC1=CC=C(C=C1C(F)(F)F)C(O)=O
Synonym 4-methoxy-3-trifluoromethyl benzoic acid,4-methoxy-3-trifluoromethyl-benzoic acid,acmc-1cr7h,3-trifluoromethyl-4-methoxybenzoic acid,benzoic acid, 4-methoxy-3-trifluoromethyl,4-methyloxy-3-trifluoromethyl benzoic acid
IUPAC Name 4-methoxy-3-(trifluoromethyl)benzoic acid
InChI Key VNWUPESTVBTYJM-UHFFFAOYSA-N
Molecular Formula C9H7F3O3
11

4-(Bromomethyl)-3-fluorobenzonitrile 98.0+%, TCI America™

CAS: 105942-09-4 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.04 MDL Number: MFCD07368341 InChI Key: ZESZAIOGACKOMB-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-fluorobenzonitrile,4-cyano-2-fluorobenzyl bromide,2-fluoro-4-cyanobenzyl bromide,2-fluoro-4-cyanbenzyl bromide,benzonitrile, 4-bromomethyl-3-fluoro,2-fluoro-4-cyanobenzylbromide,3-fluoro-4-bromomethyl benzonitrile,4-bromomethyl-3-fluoro-benzonitrile,4-bromomethyl-3-fluorobenzenecarbonitrile,pubchem4907 PubChem CID: 2783149 IUPAC Name: 4-(bromomethyl)-3-fluorobenzonitrile SMILES: FC1=C(CBr)C=CC(=C1)C#N

PubChem CID 2783149
CAS 105942-09-4
Molecular Weight (g/mol) 214.04
MDL Number MFCD07368341
SMILES FC1=C(CBr)C=CC(=C1)C#N
Synonym 4-bromomethyl-3-fluorobenzonitrile,4-cyano-2-fluorobenzyl bromide,2-fluoro-4-cyanobenzyl bromide,2-fluoro-4-cyanbenzyl bromide,benzonitrile, 4-bromomethyl-3-fluoro,2-fluoro-4-cyanobenzylbromide,3-fluoro-4-bromomethyl benzonitrile,4-bromomethyl-3-fluoro-benzonitrile,4-bromomethyl-3-fluorobenzenecarbonitrile,pubchem4907
IUPAC Name 4-(bromomethyl)-3-fluorobenzonitrile
InChI Key ZESZAIOGACKOMB-UHFFFAOYSA-N
Molecular Formula C8H5BrFN
12

1-Bromo-4-fluoro-2-nitrobenzene 97.0+%, TCI America™

CAS: 446-09-3 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 219.997 MDL Number: MFCD00055530 InChI Key: XRXNWKIKQFEOGO-UHFFFAOYSA-N Synonym: 2-bromo-5-fluoronitrobenzene,benzene, 1-bromo-4-fluoro-2-nitro,2-bromo-5-fluoro-nitrobenzene,pubchem1044,acmc-1ajt6,ksc494a1j,2-nitro-4-fluoro-bromobenzene,xrxnwkikqfeogo-uhfffaoysa,2-bromo-5-fluoro nitro benzene,1-bromo-2-nitro-4-fluorobenzene PubChem CID: 2773383 IUPAC Name: 1-bromo-4-fluoro-2-nitrobenzene SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])Br

PubChem CID 2773383
CAS 446-09-3
Molecular Weight (g/mol) 219.997
MDL Number MFCD00055530
SMILES C1=CC(=C(C=C1F)[N+](=O)[O-])Br
Synonym 2-bromo-5-fluoronitrobenzene,benzene, 1-bromo-4-fluoro-2-nitro,2-bromo-5-fluoro-nitrobenzene,pubchem1044,acmc-1ajt6,ksc494a1j,2-nitro-4-fluoro-bromobenzene,xrxnwkikqfeogo-uhfffaoysa,2-bromo-5-fluoro nitro benzene,1-bromo-2-nitro-4-fluorobenzene
IUPAC Name 1-bromo-4-fluoro-2-nitrobenzene
InChI Key XRXNWKIKQFEOGO-UHFFFAOYSA-N
Molecular Formula C6H3BrFNO2
13

4-Bromo-2,3-difluorophenetole 98.0+%, TCI America™

CAS: 156573-09-0 Molecular Formula: C8H7BrF2O Molecular Weight (g/mol): 237.044 MDL Number: MFCD07368018 InChI Key: OJZVBJOHBGYINN-UHFFFAOYSA-N Synonym: 1-Bromo-4-ethoxy-2,3-difluorobenzene PubChem CID: 26985491 IUPAC Name: 1-bromo-4-ethoxy-2,3-difluorobenzene SMILES: CCOC1=C(C(=C(C=C1)Br)F)F

PubChem CID 26985491
CAS 156573-09-0
Molecular Weight (g/mol) 237.044
MDL Number MFCD07368018
SMILES CCOC1=C(C(=C(C=C1)Br)F)F
Synonym 1-Bromo-4-ethoxy-2,3-difluorobenzene
IUPAC Name 1-bromo-4-ethoxy-2,3-difluorobenzene
InChI Key OJZVBJOHBGYINN-UHFFFAOYSA-N
Molecular Formula C8H7BrF2O
14

4-Amino-2-methoxybenzonitrile 97.0+%, TCI America™

CAS: 7251-09-4 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.17 MDL Number: MFCD09027303 InChI Key: KTDRJLRJAHBQDQ-UHFFFAOYSA-N Synonym: 4-Cyano-3-methoxyaniline, 5-Amino-2-cyanoanisole PubChem CID: 232735 IUPAC Name: 4-amino-2-methoxybenzonitrile SMILES: COC1=C(C=CC(=C1)N)C#N

PubChem CID 232735
CAS 7251-09-4
Molecular Weight (g/mol) 148.17
MDL Number MFCD09027303
SMILES COC1=C(C=CC(=C1)N)C#N
Synonym 4-Cyano-3-methoxyaniline, 5-Amino-2-cyanoanisole
IUPAC Name 4-amino-2-methoxybenzonitrile
InChI Key KTDRJLRJAHBQDQ-UHFFFAOYSA-N
Molecular Formula C8H8N2O
15

1-Benzyl-3-p-tolyltriazene 98.0+%, TCI America™

CAS: 17683-09-9 Molecular Formula: C14H15N3 Molecular Weight (g/mol): 225.30 MDL Number: MFCD00038226 InChI Key: IWCGEJKKDAJKJE-UHFFFAOYSA-N Synonym: 3-p-Tolyl-1-benzyltriazene PubChem CID: 87234 IUPAC Name: 1-benzyl-3-(4-methylphenyl)triaz-1-ene SMILES: CC1=CC=C(NN=NCC2=CC=CC=C2)C=C1

PubChem CID 87234
CAS 17683-09-9
Molecular Weight (g/mol) 225.30
MDL Number MFCD00038226
SMILES CC1=CC=C(NN=NCC2=CC=CC=C2)C=C1
Synonym 3-p-Tolyl-1-benzyltriazene
IUPAC Name 1-benzyl-3-(4-methylphenyl)triaz-1-ene
InChI Key IWCGEJKKDAJKJE-UHFFFAOYSA-N
Molecular Formula C14H15N3