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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.
Benzyl Derivatives (17)
Benzoyl derivatives (9)
Iodobenzenes (8)
Diphenylmethanes (7)
Styrenes (6)
Nitrobenzenes (5)
Aniline and substituted anilines (3)
Benzophenones (3)
Nitrotoluenes (3)
Trifluoromethylbenzenes (3)
Anilides (2)
Bromobenzenes (2)
Fluorobenzenes (2)
Phenoxy compounds (2)
Phenylpropanes (2)
Hydroxybenzoic Acid Derivatives (2)

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1 – 15 of 34 results
1

2-Iodoaniline, 98%

CAS: 615-43-0 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.03 MDL Number: MFCD00007680 InChI Key: UBPDKIDWEADHPP-UHFFFAOYSA-N Synonym: o-iodoaniline,benzenamine, 2-iodo,2-iodo aniline,2-iodobenzenamine,o-aminoiodobenzene,aniline, o-iodo,aniline, 2-iodo,benzenamine, iodo,2-iodo-phenylamine,2-iodophenylamine PubChem CID: 11995 IUPAC Name: 2-iodoaniline SMILES: NC1=CC=CC=C1I

PubChem CID 11995
CAS 615-43-0
Molecular Weight (g/mol) 219.03
MDL Number MFCD00007680
SMILES NC1=CC=CC=C1I
Synonym o-iodoaniline,benzenamine, 2-iodo,2-iodo aniline,2-iodobenzenamine,o-aminoiodobenzene,aniline, o-iodo,aniline, 2-iodo,benzenamine, iodo,2-iodo-phenylamine,2-iodophenylamine
IUPAC Name 2-iodoaniline
InChI Key UBPDKIDWEADHPP-UHFFFAOYSA-N
Molecular Formula C6H6IN
2

1,1,4,4-Tetraphenyl-1,3-butadiene, 99%

CAS: 1450-63-1 Molecular Formula: C28H22 Molecular Weight (g/mol): 358.48 MDL Number: MFCD00004766 InChI Key: KLCLIOISYBHYDZ-UHFFFAOYSA-N Synonym: 1,1,4,4-tetraphenyl-1,3-butadiene,tetraphenylbutadiene,1,1,4,4-tetraphenylbutadiene,1,1,4,4-tetraphenylbuta-1,3-diene,1,3-butadiene, 1,1,4,4-tetraphenyl,benzene, 1,1',1,1'-1,3-butadiene-1,4-diylidene tetrakis,tetraphenyl butadiene,1,1',1,1'-1,3-butadiene-1,4-diylidene tetrabenzene,1,4,4-triphenyl-1,3-butadienyl benzene,1,4,4-tetraphenylbutadiene PubChem CID: 74060 IUPAC Name: 1,4,4-triphenylbuta-1,3-dienylbenzene SMILES: C(C=C(C1=CC=CC=C1)C1=CC=CC=C1)=C(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 74060
CAS 1450-63-1
Molecular Weight (g/mol) 358.48
MDL Number MFCD00004766
SMILES C(C=C(C1=CC=CC=C1)C1=CC=CC=C1)=C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1,1,4,4-tetraphenyl-1,3-butadiene,tetraphenylbutadiene,1,1,4,4-tetraphenylbutadiene,1,1,4,4-tetraphenylbuta-1,3-diene,1,3-butadiene, 1,1,4,4-tetraphenyl,benzene, 1,1',1,1'-1,3-butadiene-1,4-diylidene tetrakis,tetraphenyl butadiene,1,1',1,1'-1,3-butadiene-1,4-diylidene tetrabenzene,1,4,4-triphenyl-1,3-butadienyl benzene,1,4,4-tetraphenylbutadiene
IUPAC Name 1,4,4-triphenylbuta-1,3-dienylbenzene
InChI Key KLCLIOISYBHYDZ-UHFFFAOYSA-N
Molecular Formula C28H22
3

trans-Styrylacetic acid, 96%

CAS: 1914-58-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00002783 InChI Key: PSCXFXNEYIHJST-QPJJXVBHSA-N Synonym: trans-styrylacetic acid,e-4-phenylbut-3-enoic acid,3e-4-phenylbut-3-enoic acid,4-phenyl-3-butenoic acid,3-butenoic acid, 4-phenyl,3-butenoic acid, 4-phenyl-, 3e,styrylacetic acid,e-4-phenyl-3-butenoic acid,e-styrylacetic acid PubChem CID: 5370625 SMILES: OC(=O)C\C=C\C1=CC=CC=C1

PubChem CID 5370625
CAS 1914-58-5
Molecular Weight (g/mol) 162.19
MDL Number MFCD00002783
SMILES OC(=O)C\C=C\C1=CC=CC=C1
Synonym trans-styrylacetic acid,e-4-phenylbut-3-enoic acid,3e-4-phenylbut-3-enoic acid,4-phenyl-3-butenoic acid,3-butenoic acid, 4-phenyl,3-butenoic acid, 4-phenyl-, 3e,styrylacetic acid,e-4-phenyl-3-butenoic acid,e-styrylacetic acid
InChI Key PSCXFXNEYIHJST-QPJJXVBHSA-N
Molecular Formula C10H10O2
5

2-Iodobenzyl alcohol, 99%

CAS: 5159-41-1 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.04 MDL Number: MFCD00004610 InChI Key: WZCXOBMFBKSSFA-UHFFFAOYSA-N Synonym: 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol PubChem CID: 107629 IUPAC Name: (2-iodophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)I

PubChem CID 107629
CAS 5159-41-1
Molecular Weight (g/mol) 234.04
MDL Number MFCD00004610
SMILES C1=CC=C(C(=C1)CO)I
Synonym 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol
IUPAC Name (2-iodophenyl)methanol
InChI Key WZCXOBMFBKSSFA-UHFFFAOYSA-N
Molecular Formula C7H7IO
6

3-Nitrostyrene, 97%, stabilized

CAS: 586-39-0 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00007276 InChI Key: SYZVQXIUVGKCBJ-UHFFFAOYSA-N Synonym: 3-nitrostyrene,1-nitro-3-vinylbenzene,m-nitrostyrene,benzene, 1-ethenyl-3-nitro,styrene, m-nitro,1-nitro-3-vinyl-benzene,3-nitrophenyl ethene,b-nitrostyrene,m-vinylnitrobenzene,3-ethenylnitrobenzene PubChem CID: 68514 IUPAC Name: 1-ethenyl-3-nitrobenzene SMILES: C=CC1=CC(=CC=C1)[N+](=O)[O-]

PubChem CID 68514
CAS 586-39-0
Molecular Weight (g/mol) 149.15
MDL Number MFCD00007276
SMILES C=CC1=CC(=CC=C1)[N+](=O)[O-]
Synonym 3-nitrostyrene,1-nitro-3-vinylbenzene,m-nitrostyrene,benzene, 1-ethenyl-3-nitro,styrene, m-nitro,1-nitro-3-vinyl-benzene,3-nitrophenyl ethene,b-nitrostyrene,m-vinylnitrobenzene,3-ethenylnitrobenzene
IUPAC Name 1-ethenyl-3-nitrobenzene
InChI Key SYZVQXIUVGKCBJ-UHFFFAOYSA-N
Molecular Formula C8H7NO2
7

4-Iodoaniline, 99%

CAS: 540-37-4 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.02 InChI Key: VLVCDUSVTXIWGW-UHFFFAOYSA-N Synonym: p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine PubChem CID: 10893 IUPAC Name: 4-iodoaniline SMILES: C1=CC(=CC=C1N)I

PubChem CID 10893
CAS 540-37-4
Molecular Weight (g/mol) 219.02
SMILES C1=CC(=CC=C1N)I
Synonym p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine
IUPAC Name 4-iodoaniline
InChI Key VLVCDUSVTXIWGW-UHFFFAOYSA-N
Molecular Formula C6H6IN
8

1,2,4,5-Tetrabromobenzene, 97%

CAS: 636-28-2 Molecular Formula: C6H2Br4 Molecular Weight (g/mol): 393.70 MDL Number: MFCD00000063 InChI Key: QCKHVNQHBOGZER-UHFFFAOYSA-N PubChem CID: 12486 IUPAC Name: 1,2,4,5-tetrabromobenzene SMILES: BrC1=CC(Br)=C(Br)C=C1Br

PubChem CID 12486
CAS 636-28-2
Molecular Weight (g/mol) 393.70
MDL Number MFCD00000063
SMILES BrC1=CC(Br)=C(Br)C=C1Br
IUPAC Name 1,2,4,5-tetrabromobenzene
InChI Key QCKHVNQHBOGZER-UHFFFAOYSA-N
Molecular Formula C6H2Br4
9
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2-Methyl-4-nitroaniline, 99%

CAS: 99-52-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007734 InChI Key: XTTIQGSLJBWVIV-UHFFFAOYSA-N Synonym: 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl PubChem CID: 7441 IUPAC Name: 2-methyl-4-nitroaniline SMILES: CC1=CC(=CC=C1N)[N+]([O-])=O

PubChem CID 7441
CAS 99-52-5
Molecular Weight (g/mol) 152.15
MDL Number MFCD00007734
SMILES CC1=CC(=CC=C1N)[N+]([O-])=O
Synonym 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl
IUPAC Name 2-methyl-4-nitroaniline
InChI Key XTTIQGSLJBWVIV-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
10

4,5-Dimethoxy-2-nitrobenzyl bromide, 97%

CAS: 53413-67-5 Molecular Formula: C9H10BrNO4 Molecular Weight (g/mol): 276.09 InChI Key: UEKFEYNZISYRRH-UHFFFAOYSA-N Synonym: 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene PubChem CID: 3016812 IUPAC Name: 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene SMILES: COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC

PubChem CID 3016812
CAS 53413-67-5
Molecular Weight (g/mol) 276.09
SMILES COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC
Synonym 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene
IUPAC Name 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene
InChI Key UEKFEYNZISYRRH-UHFFFAOYSA-N
Molecular Formula C9H10BrNO4
11

3,3',4,4'-Benzophenonetetracarboxylic dianhydride, 97+%

CAS: 2421-28-5 Molecular Formula: C17H6O7 Molecular Weight (g/mol): 322.22 MDL Number: MFCD00005923 InChI Key: VQVIHDPBMFABCQ-UHFFFAOYSA-N Synonym: 3,3',4,4'-benzophenonetetracarboxylic dianhydride,benzophenonetetracarboxylic dianhydride,benzophenonetetracarboxylic acid dianhydride,1,3-isobenzofurandione, 5,5'-carbonylbis,4,4'-carbonylbis phthalic anhydride,4,4'-carbonyldiphthalic anhydride,4,4'-diphthalic anhydride ketone,benzophenonetetracarboxylic anhydride,phthalic anhydride, 4,4'-carbonyldi,unii-y61gva8097 PubChem CID: 75498 IUPAC Name: 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione SMILES: C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O

PubChem CID 75498
CAS 2421-28-5
Molecular Weight (g/mol) 322.22
MDL Number MFCD00005923
SMILES C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
Synonym 3,3',4,4'-benzophenonetetracarboxylic dianhydride,benzophenonetetracarboxylic dianhydride,benzophenonetetracarboxylic acid dianhydride,1,3-isobenzofurandione, 5,5'-carbonylbis,4,4'-carbonylbis phthalic anhydride,4,4'-carbonyldiphthalic anhydride,4,4'-diphthalic anhydride ketone,benzophenonetetracarboxylic anhydride,phthalic anhydride, 4,4'-carbonyldi,unii-y61gva8097
IUPAC Name 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
InChI Key VQVIHDPBMFABCQ-UHFFFAOYSA-N
Molecular Formula C17H6O7
12
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2-Fluorobenzoic acid, 99%

CAS: 445-29-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002405 InChI Key: NSTREUWFTAOOKS-UHFFFAOYSA-N Synonym: o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid PubChem CID: 9935 ChEBI: CHEBI:19577 IUPAC Name: 2-fluorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)F

PubChem CID 9935
CAS 445-29-4
Molecular Weight (g/mol) 140.11
ChEBI CHEBI:19577
MDL Number MFCD00002405
SMILES C1=CC=C(C(=C1)C(=O)O)F
Synonym o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid
IUPAC Name 2-fluorobenzoic acid
InChI Key NSTREUWFTAOOKS-UHFFFAOYSA-N
Molecular Formula C7H5FO2
13
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(R)-(-)-alpha-Methoxyphenylacetic acid, 99%

CAS: 3966-32-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004250 InChI Key: DIWVBIXQCNRCFE-MRVPVSSYSA-N Synonym: r---alpha-methoxyphenylacetic acid,r-2-methoxy-2-phenylacetic acid,2r-2-methoxy-2-phenylacetic acid,r-methoxyphenylacetic acid,r-methoxy phenyl acetic acid,methoxy phenyl acetic acid #,r---.alpha.-methoxyphenylacetic acid,benzeneacetic acid, .alpha.-methoxy-, r,o-methyl-d-mandelic acid,ksc496q9j PubChem CID: 2724294 IUPAC Name: (2R)-2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

PubChem CID 2724294
CAS 3966-32-3
Molecular Weight (g/mol) 166.18
MDL Number MFCD00004250
SMILES COC(C1=CC=CC=C1)C(=O)O
Synonym r---alpha-methoxyphenylacetic acid,r-2-methoxy-2-phenylacetic acid,2r-2-methoxy-2-phenylacetic acid,r-methoxyphenylacetic acid,r-methoxy phenyl acetic acid,methoxy phenyl acetic acid #,r---.alpha.-methoxyphenylacetic acid,benzeneacetic acid, .alpha.-methoxy-, r,o-methyl-d-mandelic acid,ksc496q9j
IUPAC Name (2R)-2-methoxy-2-phenylacetic acid
InChI Key DIWVBIXQCNRCFE-MRVPVSSYSA-N
Molecular Formula C9H10O3
14

2-Formylphenylboronic acid, 98%

CAS: 40138-16-7 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151822 InChI Key: DGUWACLYDSWXRZ-UHFFFAOYSA-N Synonym: 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid PubChem CID: 292189 IUPAC Name: (2-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C=O

PubChem CID 292189
CAS 40138-16-7
Molecular Weight (g/mol) 149.94
MDL Number MFCD00151822
SMILES OB(O)C1=CC=CC=C1C=O
Synonym 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid
IUPAC Name (2-formylphenyl)boronic acid
InChI Key DGUWACLYDSWXRZ-UHFFFAOYSA-N
Molecular Formula C7H7BO3
15

3-Iodobenzaldehyde, 99%

CAS: 696-41-3 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039573 InChI Key: RZODAQZAFOBFLS-UHFFFAOYSA-N Synonym: 3-iodo-benzaldehyde,3-iodbenzaldehyd,benzaldehyde, 3-iodo,3-iodo benzaldehyde,3-iodanylbenzaldehyde,pubchem3917,acmc-1atsd,1-formyl-3-iodobenzene,m-iodobenzaldehyde,3-iodobenzaldehyde PubChem CID: 252610 IUPAC Name: 3-iodobenzaldehyde SMILES: C1=CC(=CC(=C1)I)C=O

PubChem CID 252610
CAS 696-41-3
Molecular Weight (g/mol) 232.02
MDL Number MFCD00039573
SMILES C1=CC(=CC(=C1)I)C=O
Synonym 3-iodo-benzaldehyde,3-iodbenzaldehyd,benzaldehyde, 3-iodo,3-iodo benzaldehyde,3-iodanylbenzaldehyde,pubchem3917,acmc-1atsd,1-formyl-3-iodobenzene,m-iodobenzaldehyde,3-iodobenzaldehyde
IUPAC Name 3-iodobenzaldehyde
InChI Key RZODAQZAFOBFLS-UHFFFAOYSA-N
Molecular Formula C7H5IO