Aniline and substituted anilines

Organic compounds that consist of a phenyl group attached to an amino group; aniline is the simplest aromatic amine. Anilines with additional substitutions are included.

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2-Bromoaniline, 98%

CAS: 615-36-1 Molecular Formula: C₆H₆BrN Molecular Weight (g/mol): 172.02 InChI Key: AOPBDRUWRLBSDB-UHFFFAOYSA-N PubChem CID: 11992 IUPAC Name: 2-bromoaniline SMILES: C1=CC=C(C(=C1)N)Br

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Specifications

PubChem CID	11992
CAS	615-36-1
Molecular Weight (g/mol)	172.02
SMILES	C1=CC=C(C(=C1)N)Br
IUPAC Name	2-bromoaniline
InChI Key	AOPBDRUWRLBSDB-UHFFFAOYSA-N
Molecular Formula	C₆H₆BrN

CAS: 615-36-1 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.025 MDL Number: MFCD00007632 InChI Key: AOPBDRUWRLBSDB-UHFFFAOYSA-N Synonym: o-bromoaniline,benzenamine, 2-bromo,o-aminobromobenzene,aniline, o-bromo,2-bromobenzenamine,bromoaniline 2-,2-bromo aniline,2-bromophenylamine,benzenamine,2-bromo,2-bromioaniline PubChem CID: 11992 IUPAC Name: 2-bromoaniline SMILES: C1=CC=C(C(=C1)N)Br

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Specifications

PubChem CID	11992
CAS	615-36-1
Molecular Weight (g/mol)	172.025
MDL Number	MFCD00007632
SMILES	C1=CC=C(C(=C1)N)Br
Synonym	o-bromoaniline,benzenamine, 2-bromo,o-aminobromobenzene,aniline, o-bromo,2-bromobenzenamine,bromoaniline 2-,2-bromo aniline,2-bromophenylamine,benzenamine,2-bromo,2-bromioaniline
IUPAC Name	2-bromoaniline
InChI Key	AOPBDRUWRLBSDB-UHFFFAOYSA-N
Molecular Formula	C6H6BrN

4-Methoxy-o-phenylenediamine, 98%

CAS: 102-51-2 Molecular Formula: C7H10N2O Molecular Weight (g/mol): 138.17 MDL Number: MFCD00047837 InChI Key: AGAHETWGCFCMDK-UHFFFAOYSA-N Synonym: 3,4-diaminoanisole,4-methoxy-o-phenylenediamine,4-methoxy-1,2-benzenediamine,1,2-diamino-4-methoxybenzene,1,2-benzenediamine, 4-methoxy,2-amino-4-methoxyphenylamine,3,4-diamino anisole,o-phenylenediamine, 4-methoxy,1,2-benzenediamine, 4-methoxy-9ci,4-methoxy-1,2-diaminobenzene PubChem CID: 153404 IUPAC Name: 4-methoxybenzene-1,2-diamine SMILES: COC1=CC(=C(C=C1)N)N

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Specifications

PubChem CID	153404
CAS	102-51-2
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00047837
SMILES	COC1=CC(=C(C=C1)N)N
Synonym	3,4-diaminoanisole,4-methoxy-o-phenylenediamine,4-methoxy-1,2-benzenediamine,1,2-diamino-4-methoxybenzene,1,2-benzenediamine, 4-methoxy,2-amino-4-methoxyphenylamine,3,4-diamino anisole,o-phenylenediamine, 4-methoxy,1,2-benzenediamine, 4-methoxy-9ci,4-methoxy-1,2-diaminobenzene
IUPAC Name	4-methoxybenzene-1,2-diamine
InChI Key	AGAHETWGCFCMDK-UHFFFAOYSA-N
Molecular Formula	C7H10N2O

p-Anisidine, 99%

CAS: 104-94-9 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007864 InChI Key: BHAAPTBBJKJZER-UHFFFAOYSA-N Synonym: p-anisidine,4-anisidine,4-methoxybenzenamine,4-aminoanisole,p-aminoanisole,para-anisidine,p-methoxyaniline,benzenamine, 4-methoxy,4-methoxybenzeneamine,p-anisylamine PubChem CID: 7732 ChEBI: CHEBI:82388 IUPAC Name: 4-methoxyaniline SMILES: COC1=CC=C(C=C1)N

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Specifications

PubChem CID	7732
CAS	104-94-9
Molecular Weight (g/mol)	123.155
ChEBI	CHEBI:82388
MDL Number	MFCD00007864
SMILES	COC1=CC=C(C=C1)N
Synonym	p-anisidine,4-anisidine,4-methoxybenzenamine,4-aminoanisole,p-aminoanisole,para-anisidine,p-methoxyaniline,benzenamine, 4-methoxy,4-methoxybenzeneamine,p-anisylamine
IUPAC Name	4-methoxyaniline
InChI Key	BHAAPTBBJKJZER-UHFFFAOYSA-N
Molecular Formula	C7H9NO

2-Methoxyphenyl isothiocyanate, 98%

CAS: 3288-04-8 MDL Number: MFCD00011675

Pricing and Availability
Specifications

CAS	3288-04-8
MDL Number	MFCD00011675

2-Chloro-4,6-dinitroaniline, 97%, Thermo Scientific Chemicals

CAS: 3531-19-9 Molecular Formula: C6H4ClN3O4 Molecular Weight (g/mol): 217.57 MDL Number: MFCD00007147 InChI Key: LHRIICYSGQGXSX-UHFFFAOYSA-N Synonym: 6-chloro-2,4-dinitroaniline,2-chloro-4,6-dinitrophenyl amine,benzenamine, 2-chloro-4,6-dinitro,ccris 3112,aniline, 6-chloro-2,4-dinitro,6-chloro-2,4-dinitrophenylamine,acmc-209ig0,2,4-dinitro-6-chloroaniline,3-12-00-01718 beilstein handbook reference,aronis23887 PubChem CID: 19052 IUPAC Name: 2-chloro-4,6-dinitroaniline SMILES: NC1=C(Cl)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	19052
CAS	3531-19-9
Molecular Weight (g/mol)	217.57
MDL Number	MFCD00007147
SMILES	NC1=C(Cl)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O
Synonym	6-chloro-2,4-dinitroaniline,2-chloro-4,6-dinitrophenyl amine,benzenamine, 2-chloro-4,6-dinitro,ccris 3112,aniline, 6-chloro-2,4-dinitro,6-chloro-2,4-dinitrophenylamine,acmc-209ig0,2,4-dinitro-6-chloroaniline,3-12-00-01718 beilstein handbook reference,aronis23887
IUPAC Name	2-chloro-4,6-dinitroaniline
InChI Key	LHRIICYSGQGXSX-UHFFFAOYSA-N
Molecular Formula	C6H4ClN3O4

4-Iodo-2-methoxyaniline, 97%

CAS: 338454-80-1 Molecular Formula: C₇H₈INO Molecular Weight (g/mol): 249.05 InChI Key: AEPCMLLYVXZOLQ-UHFFFAOYSA-N Synonym: 4-iodo-2-methoxy-phenylamine,2-amino-5-iodoanisole,benzenamine, 4-iodo-2-methoxy,4-iodo-o-anisidine,2-methoxy-4-iodoaniline,acmc-1aizp,2-amino-5-iodoanisole 4-iodo-2-methoxyaniline PubChem CID: 46737999 IUPAC Name: 4-iodo-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)I)N

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Specifications

PubChem CID	46737999
CAS	338454-80-1
Molecular Weight (g/mol)	249.05
SMILES	COC1=C(C=CC(=C1)I)N
Synonym	4-iodo-2-methoxy-phenylamine,2-amino-5-iodoanisole,benzenamine, 4-iodo-2-methoxy,4-iodo-o-anisidine,2-methoxy-4-iodoaniline,acmc-1aizp,2-amino-5-iodoanisole 4-iodo-2-methoxyaniline
IUPAC Name	4-iodo-2-methoxyaniline
InChI Key	AEPCMLLYVXZOLQ-UHFFFAOYSA-N
Molecular Formula	C₇H₈INO

4-Methoxybenzenediazonium tetrafluoroborate, 98%

CAS: 459-64-3 Molecular Formula: C7H7BF4N2O Molecular Weight (g/mol): 221.95 MDL Number: MFCD00011897 InChI Key: CACFTKIREZJSIG-UHFFFAOYSA-J Synonym: 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide PubChem CID: 517233 SMILES: [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N

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Specifications

PubChem CID	517233
CAS	459-64-3
Molecular Weight (g/mol)	221.95
MDL Number	MFCD00011897
SMILES	[B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N
Synonym	4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide
InChI Key	CACFTKIREZJSIG-UHFFFAOYSA-J
Molecular Formula	C7H7BF4N2O

2,5-Dimethoxyaniline, 99%

CAS: 102-56-7 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008368 InChI Key: NAZDVUBIEPVUKE-UHFFFAOYSA-N Synonym: benzenamine, 2,5-dimethoxy,aminohydroquinone dimethyl ether,1-amino-2,5-dimethoxybenzene,2,5-dimethoxybenzenamine,aniline, 2,5-dimethoxy,unii-v3z5u3fl10,2,5 dimethoxyaniline,2,5-dimethoxyphenylamine,dimethoxyaniline 2,5-,2,5-dimethoxy aniline PubChem CID: 7613 IUPAC Name: 2,5-dimethoxyaniline SMILES: COC1=CC=C(OC)C(N)=C1

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Specifications

PubChem CID	7613
CAS	102-56-7
Molecular Weight (g/mol)	153.18
MDL Number	MFCD00008368
SMILES	COC1=CC=C(OC)C(N)=C1
Synonym	benzenamine, 2,5-dimethoxy,aminohydroquinone dimethyl ether,1-amino-2,5-dimethoxybenzene,2,5-dimethoxybenzenamine,aniline, 2,5-dimethoxy,unii-v3z5u3fl10,2,5 dimethoxyaniline,2,5-dimethoxyphenylamine,dimethoxyaniline 2,5-,2,5-dimethoxy aniline
IUPAC Name	2,5-dimethoxyaniline
InChI Key	NAZDVUBIEPVUKE-UHFFFAOYSA-N
Molecular Formula	C8H11NO2

4-Methoxyphenyl isocyanate, 98%

CAS: 5416-93-3 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00002026 InChI Key: FMDGXCSMDZMDHZ-UHFFFAOYSA-N Synonym: 4-methoxyphenyl isocyanate,4-methoxyphenylisocyanate,benzene, 1-isocyanato-4-methoxy,p-anisyl isocyanate,p-methoxyphenyl isocyanate,isocyanic acid, p-methoxyphenyl ester,unii-c50o5096nc,1-isocyanato-4-methoxy-benzene,4-methoxybenzenisocyanate,4-methoxyisocyanatobenzene PubChem CID: 79443 IUPAC Name: 1-isocyanato-4-methoxybenzene SMILES: COC1=CC=C(C=C1)N=C=O

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Specifications

PubChem CID	79443
CAS	5416-93-3
Molecular Weight (g/mol)	149.149
MDL Number	MFCD00002026
SMILES	COC1=CC=C(C=C1)N=C=O
Synonym	4-methoxyphenyl isocyanate,4-methoxyphenylisocyanate,benzene, 1-isocyanato-4-methoxy,p-anisyl isocyanate,p-methoxyphenyl isocyanate,isocyanic acid, p-methoxyphenyl ester,unii-c50o5096nc,1-isocyanato-4-methoxy-benzene,4-methoxybenzenisocyanate,4-methoxyisocyanatobenzene
IUPAC Name	1-isocyanato-4-methoxybenzene
InChI Key	FMDGXCSMDZMDHZ-UHFFFAOYSA-N
Molecular Formula	C8H7NO2

o-Anisidine, 98+%

CAS: 90-04-0 Molecular Formula: C₇H₉NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007688 InChI Key: VMPITZXILSNTON-UHFFFAOYSA-N Synonym: o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine PubChem CID: 7000 ChEBI: CHEBI:82288 IUPAC Name: 2-methoxyaniline SMILES: COC1=CC=CC=C1N

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Specifications

PubChem CID	7000
CAS	90-04-0
Molecular Weight (g/mol)	123.15
ChEBI	CHEBI:82288
MDL Number	MFCD00007688
SMILES	COC1=CC=CC=C1N
Synonym	o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine
IUPAC Name	2-methoxyaniline
InChI Key	VMPITZXILSNTON-UHFFFAOYSA-N
Molecular Formula	C₇H₉NO

2-Bromo-4,6-difluoroaniline, 98%

CAS: 444-14-4 Molecular Formula: C6H4BrF2N Molecular Weight (g/mol): 208.01 MDL Number: MFCD00009639 InChI Key: WUJKFVGKLTWVSQ-UHFFFAOYSA-N Synonym: 2,4-difluoro-6-bromoaniline,6-bromo-2,4-difluoroaniline,2-bromo-4,6-difluoro-phenylamine,2-bromo-4,6-difluorobenzenamine,benzenamine, 2-bromo-4,6-difluoro,2-bromo-4,6-difluorophenylamine,pubchem2913,acmc-1ao2h,2-bromo4,6-difluoroaniline PubChem CID: 136285 IUPAC Name: 2-bromo-4,6-difluoroaniline SMILES: NC1=C(F)C=C(F)C=C1Br

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Specifications

PubChem CID	136285
CAS	444-14-4
Molecular Weight (g/mol)	208.01
MDL Number	MFCD00009639
SMILES	NC1=C(F)C=C(F)C=C1Br
Synonym	2,4-difluoro-6-bromoaniline,6-bromo-2,4-difluoroaniline,2-bromo-4,6-difluoro-phenylamine,2-bromo-4,6-difluorobenzenamine,benzenamine, 2-bromo-4,6-difluoro,2-bromo-4,6-difluorophenylamine,pubchem2913,acmc-1ao2h,2-bromo4,6-difluoroaniline
IUPAC Name	2-bromo-4,6-difluoroaniline
InChI Key	WUJKFVGKLTWVSQ-UHFFFAOYSA-N
Molecular Formula	C6H4BrF2N

4-Chloro-3-methoxyaniline, 98%

CAS: 13726-14-2 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.60 MDL Number: MFCD00672967 InChI Key: LNKBDFVSILQKSI-UHFFFAOYSA-N Synonym: 3-methoxy-4-chloroaniline,4-chloro-3-methoxyphenylamine,4-chloro-m-anisidine,2-chloro-5-aminoanisole,5-amino-2-chloroanisole,4-chloro-3-methoxy aniline,4-chloro-3-methoxy-phenylamine,benzenamine, 4-chloro-3-methoxy,pubchem3659,acmc-1chua PubChem CID: 13103692 IUPAC Name: 4-chloro-3-methoxyaniline SMILES: COC1=C(Cl)C=CC(N)=C1

Pricing and Availability
Specifications

PubChem CID	13103692
CAS	13726-14-2
Molecular Weight (g/mol)	157.60
MDL Number	MFCD00672967
SMILES	COC1=C(Cl)C=CC(N)=C1
Synonym	3-methoxy-4-chloroaniline,4-chloro-3-methoxyphenylamine,4-chloro-m-anisidine,2-chloro-5-aminoanisole,5-amino-2-chloroanisole,4-chloro-3-methoxy aniline,4-chloro-3-methoxy-phenylamine,benzenamine, 4-chloro-3-methoxy,pubchem3659,acmc-1chua
IUPAC Name	4-chloro-3-methoxyaniline
InChI Key	LNKBDFVSILQKSI-UHFFFAOYSA-N
Molecular Formula	C7H8ClNO

3,5-Dimethoxyaniline, 98%

CAS: 10272-07-8 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008392 InChI Key: WNRGWPVJGDABME-UHFFFAOYSA-N Synonym: benzenamine, 3,5-dimethoxy,3,5-dimethoxybenzeneamine,5-aminoresorcinol dimethyl ether,3,5-dimethoxy-phenylamine,3,5-dimethoxyanaline,3,5-dimethoxy aniline,5-aminoresorcinol dimethylether,3,5-dimethoxybenzenamine,3,5-dimethoxyphenylamine,pubchem4423 PubChem CID: 66301 IUPAC Name: 3,5-dimethoxyaniline SMILES: COC1=CC(OC)=CC(N)=C1

Pricing and Availability
Specifications

PubChem CID	66301
CAS	10272-07-8
Molecular Weight (g/mol)	153.18
MDL Number	MFCD00008392
SMILES	COC1=CC(OC)=CC(N)=C1
Synonym	benzenamine, 3,5-dimethoxy,3,5-dimethoxybenzeneamine,5-aminoresorcinol dimethyl ether,3,5-dimethoxy-phenylamine,3,5-dimethoxyanaline,3,5-dimethoxy aniline,5-aminoresorcinol dimethylether,3,5-dimethoxybenzenamine,3,5-dimethoxyphenylamine,pubchem4423
IUPAC Name	3,5-dimethoxyaniline
InChI Key	WNRGWPVJGDABME-UHFFFAOYSA-N
Molecular Formula	C8H11NO2

2-Methoxy-5-methylphenyl isocyanate, 97%

CAS: 59741-04-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00013869 InChI Key: IDOHLSFNBKNRRJ-UHFFFAOYSA-N Synonym: 2-methoxy-5-methylphenyl isocyanate,2-methoxy-5-methylphenylisocyanate,2-isocyanato-1-methoxy-4-methyl-benzene,benzene, 2-isocyanato-1-methoxy-4-methyl,acmc-20anrw,2-methoxy-5-methylbenzenisocyanate,2-methoxy-5-methylpheny lisocyanate,2-isocyanato-1-methyloxy-4-methylbenzene,benzene, 2-isocyanato-1-methoxy-4-methyl-9ci PubChem CID: 4141520 IUPAC Name: 2-isocyanato-1-methoxy-4-methylbenzene SMILES: CC1=CC(=C(C=C1)OC)N=C=O

Pricing and Availability
Specifications

PubChem CID	4141520
CAS	59741-04-7
Molecular Weight (g/mol)	163.176
MDL Number	MFCD00013869
SMILES	CC1=CC(=C(C=C1)OC)N=C=O
Synonym	2-methoxy-5-methylphenyl isocyanate,2-methoxy-5-methylphenylisocyanate,2-isocyanato-1-methoxy-4-methyl-benzene,benzene, 2-isocyanato-1-methoxy-4-methyl,acmc-20anrw,2-methoxy-5-methylbenzenisocyanate,2-methoxy-5-methylpheny lisocyanate,2-isocyanato-1-methyloxy-4-methylbenzene,benzene, 2-isocyanato-1-methoxy-4-methyl-9ci
IUPAC Name	2-isocyanato-1-methoxy-4-methylbenzene
InChI Key	IDOHLSFNBKNRRJ-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

Aniline and substituted anilines

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