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.

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1,036 – 1,050 of 64,663 results

1,036

3-Chlorobenzoyl chloride, 99+%

CAS: 618-46-2 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000671 InChI Key: WHIHIKVIWVIIER-UHFFFAOYSA-N Synonym: m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride PubChem CID: 69252 IUPAC Name: 3-chlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC(Cl)=C1

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Specifications

PubChem CID	69252
CAS	618-46-2
Molecular Weight (g/mol)	175.01
MDL Number	MFCD00000671
SMILES	ClC(=O)C1=CC=CC(Cl)=C1
Synonym	m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride
IUPAC Name	3-chlorobenzoyl chloride
InChI Key	WHIHIKVIWVIIER-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O

1,037

p-Fluorotoluene, 97%

CAS: 352-32-9 MDL Number: MFCD00000358 InChI Key: WRWPPGUCZBJXKX-UHFFFAOYSA-N Synonym: 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene PubChem CID: 9603 IUPAC Name: 1-fluoro-4-methylbenzene SMILES: CC1=CC=C(C=C1)F

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Specifications

PubChem CID	9603
CAS	352-32-9
MDL Number	MFCD00000358
SMILES	CC1=CC=C(C=C1)F
Synonym	4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene
IUPAC Name	1-fluoro-4-methylbenzene
InChI Key	WRWPPGUCZBJXKX-UHFFFAOYSA-N

1,038

1-Iodo-4-nitrobenzene, 99%

CAS: 636-98-6 Molecular Formula: C₆H₄INO₂ Molecular Weight (g/mol): 249.01 MDL Number: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Synonym: benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I

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Specifications

PubChem CID	12495
CAS	636-98-6
Molecular Weight (g/mol)	249.01
MDL Number	MFCD00007299
SMILES	C1=CC(=CC=C1[N+](=O)[O-])I
Synonym	benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene
IUPAC Name	1-iodo-4-nitrobenzene
InChI Key	SCCCFNJTCDSLCY-UHFFFAOYSA-N
Molecular Formula	C₆H₄INO₂

1,039

4-Ethoxy-3-methoxybenzaldehyde, 95%, Thermo Scientific™

CAS: 120-25-2 MDL Number: MFCD00016614 InChI Key: BERFDQAMXIBOHM-UHFFFAOYSA-N Synonym: 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 PubChem CID: 67116 IUPAC Name: 4-ethoxy-3-methoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)OC

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Specifications

PubChem CID	67116
CAS	120-25-2
MDL Number	MFCD00016614
SMILES	CCOC1=C(C=C(C=C1)C=O)OC
Synonym	4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648
IUPAC Name	4-ethoxy-3-methoxybenzaldehyde
InChI Key	BERFDQAMXIBOHM-UHFFFAOYSA-N

1,040

2,6-Difluorotoluene, 98%

CAS: 443-84-5 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.122 MDL Number: MFCD00043898 InChI Key: MZLSNIREOQCDED-UHFFFAOYSA-N Synonym: 2,6-difluorotoluene,benzene, 1,3-difluoro-2-methyl,2.6-difluoro methyl benzene,1,3-difluoro-2-methyl-benzene,1,3-difluor-2-methylbenzol,pubchem1614,2,6-difluoro toluene,acmc-209jxo,ksc493c9b PubChem CID: 581493 IUPAC Name: 1,3-difluoro-2-methylbenzene SMILES: CC1=C(C=CC=C1F)F

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Specifications

PubChem CID	581493
CAS	443-84-5
Molecular Weight (g/mol)	128.122
MDL Number	MFCD00043898
SMILES	CC1=C(C=CC=C1F)F
Synonym	2,6-difluorotoluene,benzene, 1,3-difluoro-2-methyl,2.6-difluoro methyl benzene,1,3-difluoro-2-methyl-benzene,1,3-difluor-2-methylbenzol,pubchem1614,2,6-difluoro toluene,acmc-209jxo,ksc493c9b
IUPAC Name	1,3-difluoro-2-methylbenzene
InChI Key	MZLSNIREOQCDED-UHFFFAOYSA-N
Molecular Formula	C7H6F2

1,041

4-Fluoro-3-methoxybenzoic acid, 95%, Thermo Scientific Chemicals

CAS: 82846-18-2 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00272134 InChI Key: LWGCZCMLPRMKIZ-UHFFFAOYSA-N Synonym: 3-methoxy-4-fluorobenzoic acid,4-fluoro-m-anisic acid,benzoic acid, 4-fluoro-3-methoxy,4-fluoro-3-methoxybenzoicacid,4-fluoro-3-methoxy-benzoic acid,4-fluoranyl-3-methoxy-benzoic acid,pubchem1394,acmc-209pqm,ksc495c0r,rarechem al bo 0973 PubChem CID: 598436 IUPAC Name: 4-fluoro-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)F

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Specifications

PubChem CID	598436
CAS	82846-18-2
Molecular Weight (g/mol)	170.139
MDL Number	MFCD00272134
SMILES	COC1=C(C=CC(=C1)C(=O)O)F
Synonym	3-methoxy-4-fluorobenzoic acid,4-fluoro-m-anisic acid,benzoic acid, 4-fluoro-3-methoxy,4-fluoro-3-methoxybenzoicacid,4-fluoro-3-methoxy-benzoic acid,4-fluoranyl-3-methoxy-benzoic acid,pubchem1394,acmc-209pqm,ksc495c0r,rarechem al bo 0973
IUPAC Name	4-fluoro-3-methoxybenzoic acid
InChI Key	LWGCZCMLPRMKIZ-UHFFFAOYSA-N
Molecular Formula	C8H7FO3

1,042

3-Bromo-5-methylaniline, 98%

CAS: 74586-53-1 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.052 MDL Number: MFCD11845553 InChI Key: YIZRPAWCIFTHNA-UHFFFAOYSA-N Synonym: 3-bromo-5-methylbenzenamine,3-amino-5-bromotoluene,benzenamine, 3-bromo-5-methyl,5-brom-3-toluidin,5-bromo-m-toluidine,acmc-209ova,3-bromo-5-methyl-aniline,3-bromo-5-methyl aniline,ksc494e0l PubChem CID: 3018526 IUPAC Name: 3-bromo-5-methylaniline SMILES: CC1=CC(=CC(=C1)Br)N

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Specifications

PubChem CID	3018526
CAS	74586-53-1
Molecular Weight (g/mol)	186.052
MDL Number	MFCD11845553
SMILES	CC1=CC(=CC(=C1)Br)N
Synonym	3-bromo-5-methylbenzenamine,3-amino-5-bromotoluene,benzenamine, 3-bromo-5-methyl,5-brom-3-toluidin,5-bromo-m-toluidine,acmc-209ova,3-bromo-5-methyl-aniline,3-bromo-5-methyl aniline,ksc494e0l
IUPAC Name	3-bromo-5-methylaniline
InChI Key	YIZRPAWCIFTHNA-UHFFFAOYSA-N
Molecular Formula	C7H8BrN

1,043

trans-Cinnamoyl chloride, 97%

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

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Specifications

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

1,044

2-Bromoisophthalaldehyde, 97%

CAS: 79839-49-9 Molecular Formula: C8H5BrO2 Molecular Weight (g/mol): 213.03 MDL Number: MFCD08461034 InChI Key: RZUSSKMZLHKMHU-UHFFFAOYSA-N Synonym: 2-bromoisophthalaldehyde,2-bromobenzene-1,3-dialdehyde,2-bromo-1,3-diformylbenzene,2,6-diformylbromobenzene,2-bromo-benzene-1,3-dicarbaldehyde,2-bromobenzene-1,3-dicarboxaldehyde,1,3-diformyl-2-bromobenzene,1,3-benzenedicarboxaldehyde, 2-bromo,acmc-209pia,ksc495c0d PubChem CID: 11435812 IUPAC Name: 2-bromobenzene-1,3-dicarbaldehyde SMILES: BrC1=C(C=O)C=CC=C1C=O

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Specifications

PubChem CID	11435812
CAS	79839-49-9
Molecular Weight (g/mol)	213.03
MDL Number	MFCD08461034
SMILES	BrC1=C(C=O)C=CC=C1C=O
Synonym	2-bromoisophthalaldehyde,2-bromobenzene-1,3-dialdehyde,2-bromo-1,3-diformylbenzene,2,6-diformylbromobenzene,2-bromo-benzene-1,3-dicarbaldehyde,2-bromobenzene-1,3-dicarboxaldehyde,1,3-diformyl-2-bromobenzene,1,3-benzenedicarboxaldehyde, 2-bromo,acmc-209pia,ksc495c0d
IUPAC Name	2-bromobenzene-1,3-dicarbaldehyde
InChI Key	RZUSSKMZLHKMHU-UHFFFAOYSA-N
Molecular Formula	C8H5BrO2

1,045

4-(Methoxymethyl)benzeneboronic acid, 97%

CAS: 279262-11-2 Molecular Formula: C8H11BO3 Molecular Weight (g/mol): 165.983 MDL Number: MFCD03788426 InChI Key: VTNVZXAYRMTKON-UHFFFAOYSA-N Synonym: 4-methoxymethyl phenylboronic acid,4-methoxymethyl phenyl boronic acid,4-methoxymethylbenzeneboronic acid,4-methoxymethylphenylboronic acid,4-methoxymethyl benzeneboronic acid,acmc-1cr68,4-methoxymethyl-phenylboronic acid,4-methoxymethylphenyl boronic acid,4-methoxymethyl-benzene boronic acid PubChem CID: 3723812 IUPAC Name: [4-(methoxymethyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)COC)(O)O

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Specifications

PubChem CID	3723812
CAS	279262-11-2
Molecular Weight (g/mol)	165.983
MDL Number	MFCD03788426
SMILES	B(C1=CC=C(C=C1)COC)(O)O
Synonym	4-methoxymethyl phenylboronic acid,4-methoxymethyl phenyl boronic acid,4-methoxymethylbenzeneboronic acid,4-methoxymethylphenylboronic acid,4-methoxymethyl benzeneboronic acid,acmc-1cr68,4-methoxymethyl-phenylboronic acid,4-methoxymethylphenyl boronic acid,4-methoxymethyl-benzene boronic acid
IUPAC Name	[4-(methoxymethyl)phenyl]boronic acid
InChI Key	VTNVZXAYRMTKON-UHFFFAOYSA-N
Molecular Formula	C8H11BO3

1,046

Benzophenone Imine, Sigma-Aldrich

CAS: 1013-88-3 Molecular Weight (g/mol): 181.23 g/mol

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Specifications

CAS	1013-88-3
Molecular Weight (g/mol)	181.23 g/mol

1,047

1,4-Bis[alpha-(4-chlorophenyl)benzyl]piperazine dihydrochloride, 97%

CAS: 346451-15-8 Molecular Formula: C30H30Cl4N2 Molecular Weight (g/mol): 560.384 MDL Number: MFCD03844641 InChI Key: DLEQNCKNBPYHEY-UHFFFAOYSA-N Synonym: 1,4-bis 4-chlorophenyl phenylmethyl piperazine dihydrochloride,cetirizine impurity d,1,4-bis 4-chlorophenyl phenylmethyl-piperazine dihydrochloride,1,4-bis 4-chlorophenyl phenyl methyl piperazine dihydrochloride,1,4-bis 4-chlorophenyl-phenylmethyl piperazine;dihydrochloride PubChem CID: 24720891 IUPAC Name: 1,4-bis[(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride SMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl.Cl

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Specifications

PubChem CID	24720891
CAS	346451-15-8
Molecular Weight (g/mol)	560.384
MDL Number	MFCD03844641
SMILES	C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl.Cl
Synonym	1,4-bis 4-chlorophenyl phenylmethyl piperazine dihydrochloride,cetirizine impurity d,1,4-bis 4-chlorophenyl phenylmethyl-piperazine dihydrochloride,1,4-bis 4-chlorophenyl phenyl methyl piperazine dihydrochloride,1,4-bis 4-chlorophenyl-phenylmethyl piperazine;dihydrochloride
IUPAC Name	1,4-bis[(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
InChI Key	DLEQNCKNBPYHEY-UHFFFAOYSA-N
Molecular Formula	C30H30Cl4N2

1,048

Methyl 2-amino-4,5-difluorobenzoate, 98%

CAS: 207346-42-7 Molecular Formula: C8H7F2NO2 Molecular Weight (g/mol): 187.15 MDL Number: MFCD09264511 InChI Key: VIAQNTRKUPBQKR-UHFFFAOYSA-N Synonym: 2-amino-4,5-difluorobenzoic acid methyl ester,benzoic acid, 2-amino-4,5-difluoro-, methyl ester,pubchem4676,acmc-209fdn,ksc496g7j,methyl 4,5-difluoroanthranilate,methyl2-amino-4,5-difluorobenzoate,methyl 2-amino-4,5-difluoro-benzoate,2-amino-4,5-difluoro-benzoic acid methyl ester PubChem CID: 18472001 IUPAC Name: methyl 2-amino-4,5-difluorobenzoate SMILES: COC(=O)C1=CC(F)=C(F)C=C1N

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Specifications

PubChem CID	18472001
CAS	207346-42-7
Molecular Weight (g/mol)	187.15
MDL Number	MFCD09264511
SMILES	COC(=O)C1=CC(F)=C(F)C=C1N
Synonym	2-amino-4,5-difluorobenzoic acid methyl ester,benzoic acid, 2-amino-4,5-difluoro-, methyl ester,pubchem4676,acmc-209fdn,ksc496g7j,methyl 4,5-difluoroanthranilate,methyl2-amino-4,5-difluorobenzoate,methyl 2-amino-4,5-difluoro-benzoate,2-amino-4,5-difluoro-benzoic acid methyl ester
IUPAC Name	methyl 2-amino-4,5-difluorobenzoate
InChI Key	VIAQNTRKUPBQKR-UHFFFAOYSA-N
Molecular Formula	C8H7F2NO2

1,049

4-Bromo-4'-iodobiphenyl, 98%

CAS: 105946-82-5 Molecular Formula: C12H8BrI Molecular Weight (g/mol): 359.004 MDL Number: MFCD17676204 InChI Key: GWOAJJWBCSUGHH-UHFFFAOYSA-N Synonym: 4-bromo-4'-iodobiphenyl,4-bromo-4'-iodo-1,1'-biphenyl,1,1'-biphenyl, 4-bromo-4'-iodo,1-bromo-4-4-iodophenyl benzene,4'-bromo-4-iodobiphenyl,4-iodo-4'-bromobiphenyl,4-bromo-4'-iodo-biphenyl,4-bromo-4/'-iodobiphenyl,ksc164g2f PubChem CID: 10904452 IUPAC Name: 1-bromo-4-(4-iodophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)I)Br

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Specifications

PubChem CID	10904452
CAS	105946-82-5
Molecular Weight (g/mol)	359.004
MDL Number	MFCD17676204
SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)I)Br
Synonym	4-bromo-4'-iodobiphenyl,4-bromo-4'-iodo-1,1'-biphenyl,1,1'-biphenyl, 4-bromo-4'-iodo,1-bromo-4-4-iodophenyl benzene,4'-bromo-4-iodobiphenyl,4-iodo-4'-bromobiphenyl,4-bromo-4'-iodo-biphenyl,4-bromo-4/'-iodobiphenyl,ksc164g2f
IUPAC Name	1-bromo-4-(4-iodophenyl)benzene
InChI Key	GWOAJJWBCSUGHH-UHFFFAOYSA-N
Molecular Formula	C12H8BrI

1,050

Methyl 4-methylsalicylate, 98+%

CAS: 4670-56-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00020130 InChI Key: UITFCFWKYAOJEJ-UHFFFAOYSA-N Synonym: methyl 4-methylsalicylate,methyl-4-methylsalicylate,benzoic acid, 2-hydroxy-4-methyl-, methyl ester,4-methylsalicylic acid methyl ester,methyl-4-methyl salicylate,methyl m-cresotate,2-hydroxy-4-methylbenzoic acid methyl ester,methyl 2-hydroxy-4-methyl-benzoate,2-hydroxy-4-methyl-benzoic acid methyl ester,methyl methylsalicylate PubChem CID: 78400 IUPAC Name: methyl 2-hydroxy-4-methylbenzoate SMILES: CC1=CC(=C(C=C1)C(=O)OC)O

Pricing & Availability
Specifications

PubChem CID	78400
CAS	4670-56-8
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00020130
SMILES	CC1=CC(=C(C=C1)C(=O)OC)O
Synonym	methyl 4-methylsalicylate,methyl-4-methylsalicylate,benzoic acid, 2-hydroxy-4-methyl-, methyl ester,4-methylsalicylic acid methyl ester,methyl-4-methyl salicylate,methyl m-cresotate,2-hydroxy-4-methylbenzoic acid methyl ester,methyl 2-hydroxy-4-methyl-benzoate,2-hydroxy-4-methyl-benzoic acid methyl ester,methyl methylsalicylate
IUPAC Name	methyl 2-hydroxy-4-methylbenzoate
InChI Key	UITFCFWKYAOJEJ-UHFFFAOYSA-N
Molecular Formula	C9H10O3

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