Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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5,116 – 5,130 of 159,106 results

5,116

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3-Bromothiophenol, 95%

CAS: 6320-01-0 Molecular Formula: C6H5BrS Molecular Weight (g/mol): 189.07 MDL Number: MFCD00009603 InChI Key: HNGQQUDFJDROPY-UHFFFAOYSA-N Synonym: 3-bromothiophenol,m-bromobenzenethiol,m-bromothiophenol,3-bromo thiophenol,3-bromobenzene-1-thiol,benzenethiol, 3-bromo,3-bromophenyl mercaptan,3-bromo-benzenethiol,pubchem6805,# PubChem CID: 80597 IUPAC Name: 3-bromobenzenethiol SMILES: SC1=CC=CC(Br)=C1

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PubChem CID	80597
CAS	6320-01-0
Molecular Weight (g/mol)	189.07
MDL Number	MFCD00009603
SMILES	SC1=CC=CC(Br)=C1
Synonym	3-bromothiophenol,m-bromobenzenethiol,m-bromothiophenol,3-bromo thiophenol,3-bromobenzene-1-thiol,benzenethiol, 3-bromo,3-bromophenyl mercaptan,3-bromo-benzenethiol,pubchem6805,#
IUPAC Name	3-bromobenzenethiol
InChI Key	HNGQQUDFJDROPY-UHFFFAOYSA-N
Molecular Formula	C6H5BrS

5,117

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4-Methyl-2-nitroaniline, 99%

CAS: 89-62-3 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007907 InChI Key: DLURHXYXQYMPLT-UHFFFAOYSA-N Synonym: 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt PubChem CID: 6978 ChEBI: CHEBI:66920 IUPAC Name: 4-methyl-2-nitroaniline SMILES: CC1=CC=C(N)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	6978
CAS	89-62-3
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:66920
MDL Number	MFCD00007907
SMILES	CC1=CC=C(N)C(=C1)[N+]([O-])=O
Synonym	2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt
IUPAC Name	4-methyl-2-nitroaniline
InChI Key	DLURHXYXQYMPLT-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

5,118

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2-Methyl-5-nitroaniline, 98+%

CAS: 99-55-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007741 InChI Key: DSBIJCMXAIKKKI-UHFFFAOYSA-N Synonym: 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp PubChem CID: 7444 ChEBI: CHEBI:66891 IUPAC Name: 2-methyl-5-nitroaniline SMILES: CC1=CC=C(C=C1N)[N+]([O-])=O

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Specifications

PubChem CID	7444
CAS	99-55-8
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:66891
MDL Number	MFCD00007741
SMILES	CC1=CC=C(C=C1N)[N+]([O-])=O
Synonym	2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp
IUPAC Name	2-methyl-5-nitroaniline
InChI Key	DSBIJCMXAIKKKI-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

5,119

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4-Methyl-3-nitrobenzeneboronic acid, 98%

CAS: 80500-27-2 Molecular Formula: C7H8BNO4 Molecular Weight (g/mol): 180.954 MDL Number: MFCD00191550 InChI Key: OASVXBRTNVFKFS-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid PubChem CID: 2773515 IUPAC Name: (4-methyl-3-nitrophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O

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PubChem CID	2773515
CAS	80500-27-2
Molecular Weight (g/mol)	180.954
MDL Number	MFCD00191550
SMILES	B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
Synonym	4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid
IUPAC Name	(4-methyl-3-nitrophenyl)boronic acid
InChI Key	OASVXBRTNVFKFS-UHFFFAOYSA-N
Molecular Formula	C7H8BNO4

5,120

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4,5-Difluoro-2-nitrotoluene, 98%, Thermo Scientific Chemicals

CAS: 127371-50-0 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.119 MDL Number: MFCD04973772 InChI Key: DJEBTFSOEQWELL-UHFFFAOYSA-N Synonym: 4,5-difluoro-2-nitrotoluene,2-nitro-4,5-difluorotoluene,4,5-difluoro-2-methylnitrobenzene,4,5-difluoro-1-methyl-2-nitrobenzene,benzene,1,2-difluoro-4-methyl-5-nitro,pubchem18518,acmc-1c6zu,1-nitro-3,4-difluoro-6-methylbenzene,1,2-difluoro-4-methyl-5-nitro-benzene,benzene, 1,2-difluoro-4-methyl-5-nitro PubChem CID: 2756252 IUPAC Name: 1,2-difluoro-4-methyl-5-nitrobenzene SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])F)F

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Specifications

PubChem CID	2756252
CAS	127371-50-0
Molecular Weight (g/mol)	173.119
MDL Number	MFCD04973772
SMILES	CC1=CC(=C(C=C1[N+](=O)[O-])F)F
Synonym	4,5-difluoro-2-nitrotoluene,2-nitro-4,5-difluorotoluene,4,5-difluoro-2-methylnitrobenzene,4,5-difluoro-1-methyl-2-nitrobenzene,benzene,1,2-difluoro-4-methyl-5-nitro,pubchem18518,acmc-1c6zu,1-nitro-3,4-difluoro-6-methylbenzene,1,2-difluoro-4-methyl-5-nitro-benzene,benzene, 1,2-difluoro-4-methyl-5-nitro
IUPAC Name	1,2-difluoro-4-methyl-5-nitrobenzene
InChI Key	DJEBTFSOEQWELL-UHFFFAOYSA-N
Molecular Formula	C7H5F2NO2

5,121

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2-Nitro-m-xylene, 99%

CAS: 81-20-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007181 InChI Key: HDFQKJQEWGVKCQ-UHFFFAOYSA-N Synonym: 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 PubChem CID: 6672 IUPAC Name: 1,3-dimethyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]

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PubChem CID	6672
CAS	81-20-9
Molecular Weight (g/mol)	151.165
MDL Number	MFCD00007181
SMILES	CC1=C(C(=CC=C1)C)[N+](=O)[O-]
Synonym	2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134
IUPAC Name	1,3-dimethyl-2-nitrobenzene
InChI Key	HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

5,122

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4-Bromo-2-nitrotoluene, 99%

CAS: 60956-26-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00041243 InChI Key: KZNXALJXBRSMFL-UHFFFAOYSA-N Synonym: 4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072 PubChem CID: 123546 IUPAC Name: 4-bromo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)Br)[N+](=O)[O-]

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PubChem CID	123546
CAS	60956-26-5
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00041243
SMILES	CC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Synonym	4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072
IUPAC Name	4-bromo-1-methyl-2-nitrobenzene
InChI Key	KZNXALJXBRSMFL-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

5,123

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2,6-Dichloro-3-nitrotoluene, 99%

CAS: 29682-46-0 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.02 MDL Number: MFCD00024185 InChI Key: WBNZUUIFTPNYRN-UHFFFAOYSA-N Synonym: 2,6-dichloro-3-nitrotoluene,benzene, 1,3-dichloro-2-methyl-4-nitro,2,4-dichloro-3-methylnitrobenzene,pubchem4540,acmc-209hao,ksc495g5p,wbnzuuiftpnyrn-uhfffaoysa,2,4-dichloro-3-methyl-1-nitrobenzene,1,3-dichloro-2-methyl-4-nitro-benzene PubChem CID: 97155 IUPAC Name: 1,3-dichloro-2-methyl-4-nitrobenzene SMILES: CC1=C(Cl)C=CC(=C1Cl)[N+]([O-])=O

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Specifications

PubChem CID	97155
CAS	29682-46-0
Molecular Weight (g/mol)	206.02
MDL Number	MFCD00024185
SMILES	CC1=C(Cl)C=CC(=C1Cl)[N+]([O-])=O
Synonym	2,6-dichloro-3-nitrotoluene,benzene, 1,3-dichloro-2-methyl-4-nitro,2,4-dichloro-3-methylnitrobenzene,pubchem4540,acmc-209hao,ksc495g5p,wbnzuuiftpnyrn-uhfffaoysa,2,4-dichloro-3-methyl-1-nitrobenzene,1,3-dichloro-2-methyl-4-nitro-benzene
IUPAC Name	1,3-dichloro-2-methyl-4-nitrobenzene
InChI Key	WBNZUUIFTPNYRN-UHFFFAOYSA-N
Molecular Formula	C7H5Cl2NO2

5,124

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4-Iodo-2-nitrotoluene, 97%

CAS: 41252-97-5 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.034 MDL Number: MFCD00051090 InChI Key: QLMRDNPXYNJQMQ-UHFFFAOYSA-N Synonym: 4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene PubChem CID: 170481 IUPAC Name: 4-iodo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)I)[N+](=O)[O-]

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Specifications

PubChem CID	170481
CAS	41252-97-5
Molecular Weight (g/mol)	263.034
MDL Number	MFCD00051090
SMILES	CC1=C(C=C(C=C1)I)[N+](=O)[O-]
Synonym	4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene
IUPAC Name	4-iodo-1-methyl-2-nitrobenzene
InChI Key	QLMRDNPXYNJQMQ-UHFFFAOYSA-N
Molecular Formula	C7H6INO2

5,125

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3-Methyl-4-nitroaniline, 95%

CAS: 611-05-2 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00091833 InChI Key: XPAYEWBTLKOEDA-UHFFFAOYSA-N Synonym: 4-nitro-m-toluidine,benzenamine, 3-methyl-4-nitro,3-methyl-4-nitro-aniline,3-methyl-4-nitro-phenylamine,3-methyl-4-nitrophenylamine,4-nitro-m-toluidin,3-methyl4-nitroaniline,pubchem12456,3-mehtyl-4-nitroanilin,5-amino-2-nitrotoluene PubChem CID: 11898 IUPAC Name: 3-methyl-4-nitroaniline SMILES: CC1=C(C=CC(=C1)N)[N+](=O)[O-]

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Specifications

PubChem CID	11898
CAS	611-05-2
Molecular Weight (g/mol)	152.153
MDL Number	MFCD00091833
SMILES	CC1=C(C=CC(=C1)N)[N+](=O)[O-]
Synonym	4-nitro-m-toluidine,benzenamine, 3-methyl-4-nitro,3-methyl-4-nitro-aniline,3-methyl-4-nitro-phenylamine,3-methyl-4-nitrophenylamine,4-nitro-m-toluidin,3-methyl4-nitroaniline,pubchem12456,3-mehtyl-4-nitroanilin,5-amino-2-nitrotoluene
IUPAC Name	3-methyl-4-nitroaniline
InChI Key	XPAYEWBTLKOEDA-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

5,126

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Dinitrodurene, 97%, Thermo Scientific™

CAS: 5465-13-4 InChI Key: AEPQXGFMAZTUEA-UHFFFAOYSA-N Synonym: 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+% PubChem CID: 79593 IUPAC Name: 1,2,4,5-tetramethyl-3,6-dinitrobenzene SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C

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Specifications

PubChem CID	79593
CAS	5465-13-4
SMILES	CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C
Synonym	1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+%
IUPAC Name	1,2,4,5-tetramethyl-3,6-dinitrobenzene
InChI Key	AEPQXGFMAZTUEA-UHFFFAOYSA-N

5,127

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2-Methyl-5-nitrobenzenesulfonyl chloride, 97%

CAS: 121-02-8 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.64 MDL Number: MFCD00051695 InChI Key: WPGVQDHXOUAJBW-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzene-1-sulfonyl chloride,5-nitro-o-toluenesulfonyl chloride,2-methyl-5-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methyl-5-nitro,4-nitrotoluen-2-sulfochlorid,o-toluenesulfonyl chloride, 5-nitro,4-nitrotoluen-2-sulfonylchlorid,4-nitrotoluene-2-sulphonyl chloride,4-nitrotoluen-2-sulfochlorid czech,2-methyl-5-nitrophenylsulfonyl chloride PubChem CID: 8457 IUPAC Name: 2-methyl-5-nitrobenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O

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Specifications

PubChem CID	8457
CAS	121-02-8
Molecular Weight (g/mol)	235.64
MDL Number	MFCD00051695
SMILES	CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O
Synonym	2-methyl-5-nitrobenzene-1-sulfonyl chloride,5-nitro-o-toluenesulfonyl chloride,2-methyl-5-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methyl-5-nitro,4-nitrotoluen-2-sulfochlorid,o-toluenesulfonyl chloride, 5-nitro,4-nitrotoluen-2-sulfonylchlorid,4-nitrotoluene-2-sulphonyl chloride,4-nitrotoluen-2-sulfochlorid czech,2-methyl-5-nitrophenylsulfonyl chloride
IUPAC Name	2-methyl-5-nitrobenzenesulfonyl chloride
InChI Key	WPGVQDHXOUAJBW-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO4S

5,128

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1-Bromo-2,4-dimethyl-5-nitrobenzene, 95%

CAS: 69383-59-1 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD00075824 InChI Key: HYYJANCKMGXHLQ-UHFFFAOYSA-N Synonym: 5-bromo-2,4-dimethylnitrobenzene,4-bromo-6-nitro-m-xylene,benzene, 1-bromo-2,4-dimethyl-5-nitro,1-bromo-2,4-dimethyl-5-nitro-benzene,2-nitro-4-bromo-m-xylene,2,4-dimethyl-5-nitro-1-bromobenzene,pubchem19926,benzene,1-bromo-2,4-dimethyl-5-nitro PubChem CID: 12474326 IUPAC Name: 1-bromo-2,4-dimethyl-5-nitrobenzene SMILES: CC1=CC(C)=C(Br)C=C1[N+]([O-])=O

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Specifications

PubChem CID	12474326
CAS	69383-59-1
Molecular Weight (g/mol)	230.06
MDL Number	MFCD00075824
SMILES	CC1=CC(C)=C(Br)C=C1[N+]([O-])=O
Synonym	5-bromo-2,4-dimethylnitrobenzene,4-bromo-6-nitro-m-xylene,benzene, 1-bromo-2,4-dimethyl-5-nitro,1-bromo-2,4-dimethyl-5-nitro-benzene,2-nitro-4-bromo-m-xylene,2,4-dimethyl-5-nitro-1-bromobenzene,pubchem19926,benzene,1-bromo-2,4-dimethyl-5-nitro
IUPAC Name	1-bromo-2,4-dimethyl-5-nitrobenzene
InChI Key	HYYJANCKMGXHLQ-UHFFFAOYSA-N
Molecular Formula	C8H8BrNO2

5,129

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4-Chloro-2-methyl-6-nitroaniline, 98%

CAS: 62790-50-5 Molecular Formula: C7H7ClN2O2 Molecular Weight (g/mol): 186.60 MDL Number: MFCD01320687 InChI Key: QDSCDFKGUAONPC-UHFFFAOYSA-N PubChem CID: 182355 IUPAC Name: 4-chloro-2-methyl-6-nitroaniline SMILES: CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O

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Specifications

PubChem CID	182355
CAS	62790-50-5
Molecular Weight (g/mol)	186.60
MDL Number	MFCD01320687
SMILES	CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O
IUPAC Name	4-chloro-2-methyl-6-nitroaniline
InChI Key	QDSCDFKGUAONPC-UHFFFAOYSA-N
Molecular Formula	C7H7ClN2O2

5,130

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2-Chloro-4-nitrotoluene, 98%

CAS: 121-86-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007210 InChI Key: LLYXJBROWQDVMI-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene PubChem CID: 8491 IUPAC Name: 2-chloro-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl

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Specifications

PubChem CID	8491
CAS	121-86-8
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00007210
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Synonym	2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene
IUPAC Name	2-chloro-1-methyl-4-nitrobenzene
InChI Key	LLYXJBROWQDVMI-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

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