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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m-Anisidine, 98%

CAS: 536-90-3 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007783 InChI Key: NCBZRJODKRCREW-UHFFFAOYSA-N Synonym: m-anisidine,3-aminoanisole,m-methoxyaniline,3-methoxybenzenamine,3-anisidine,m-aminoanisole,benzenamine, 3-methoxy,m-anisylamine,1-amino-3-methoxybenzene,unii-jxa144kx2i PubChem CID: 10824 IUPAC Name: 3-methoxyaniline SMILES: COC1=CC=CC(=C1)N

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PubChem CID	10824
CAS	536-90-3
Molecular Weight (g/mol)	123.155
MDL Number	MFCD00007783
SMILES	COC1=CC=CC(=C1)N
Synonym	m-anisidine,3-aminoanisole,m-methoxyaniline,3-methoxybenzenamine,3-anisidine,m-aminoanisole,benzenamine, 3-methoxy,m-anisylamine,1-amino-3-methoxybenzene,unii-jxa144kx2i
IUPAC Name	3-methoxyaniline
InChI Key	NCBZRJODKRCREW-UHFFFAOYSA-N
Molecular Formula	C7H9NO

3,4,5-Trimethoxyaniline, 97%

CAS: 24313-88-0 Molecular Formula: C₉H₁₃NO₃ Molecular Weight (g/mol): 183.21 MDL Number: MFCD00008393 InChI Key: XEFRNCLPPFDWAC-UHFFFAOYSA-N Synonym: benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline PubChem CID: 32285 IUPAC Name: 3,4,5-trimethoxyaniline SMILES: COC1=CC(=CC(=C1OC)OC)N

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Specifications

PubChem CID	32285
CAS	24313-88-0
Molecular Weight (g/mol)	183.21
MDL Number	MFCD00008393
SMILES	COC1=CC(=CC(=C1OC)OC)N
Synonym	benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline
IUPAC Name	3,4,5-trimethoxyaniline
InChI Key	XEFRNCLPPFDWAC-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃NO₃

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

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

4-Methoxyphenylhydrazine hydrochloride, 98%

CAS: 19501-58-7 Molecular Formula: C7H11ClN2O Molecular Weight (g/mol): 174.628 MDL Number: MFCD00012945 InChI Key: FQHCPFMTXFJZJS-UHFFFAOYSA-N Synonym: 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride PubChem CID: 2723904 IUPAC Name: (4-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=C(C=C1)NN.Cl

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Specifications

PubChem CID	2723904
CAS	19501-58-7
Molecular Weight (g/mol)	174.628
MDL Number	MFCD00012945
SMILES	COC1=CC=C(C=C1)NN.Cl
Synonym	4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride
IUPAC Name	(4-methoxyphenyl)hydrazine;hydrochloride
InChI Key	FQHCPFMTXFJZJS-UHFFFAOYSA-N
Molecular Formula	C7H11ClN2O

2-Amino-5-methoxybenzonitrile, 95%

CAS: 23842-82-2 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.17 MDL Number: MFCD05149280 InChI Key: SRWMPAZUWXLIPG-UHFFFAOYSA-N PubChem CID: 3513002 IUPAC Name: 2-amino-5-methoxybenzonitrile SMILES: COC1=CC(C#N)=C(N)C=C1

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Specifications

PubChem CID	3513002
CAS	23842-82-2
Molecular Weight (g/mol)	148.17
MDL Number	MFCD05149280
SMILES	COC1=CC(C#N)=C(N)C=C1
IUPAC Name	2-amino-5-methoxybenzonitrile
InChI Key	SRWMPAZUWXLIPG-UHFFFAOYSA-N
Molecular Formula	C8H8N2O

2,4-Dinitroaniline, 99%

CAS: 97-02-9 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007151 InChI Key: LXQOQPGNCGEELI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline PubChem CID: 7321 ChEBI: CHEBI:34242 IUPAC Name: 2,4-dinitroaniline SMILES: NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	7321
CAS	97-02-9
Molecular Weight (g/mol)	183.12
ChEBI	CHEBI:34242
MDL Number	MFCD00007151
SMILES	NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
Synonym	benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline
IUPAC Name	2,4-dinitroaniline
InChI Key	LXQOQPGNCGEELI-UHFFFAOYSA-N
Molecular Formula	C6H5N3O4

2,4-Dinitroaniline, 99% (dry wt.), cont. up to 15% water

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Specifications

PubChem CID	7321
CAS	97-02-9
Molecular Weight (g/mol)	183.12
ChEBI	CHEBI:34242
MDL Number	MFCD00007151
SMILES	NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
Synonym	benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline
IUPAC Name	2,4-dinitroaniline
InChI Key	LXQOQPGNCGEELI-UHFFFAOYSA-N
Molecular Formula	C6H5N3O4

2-Bromoaniline, 98%

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

o-Anisidine, 99%

CAS: 90-04-0 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 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)	123.155
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

o-Dianisidine, 98+%

CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 MDL Number: MFCD00008372 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

Pricing and Availability
Specifications

PubChem CID	8411
CAS	119-90-4
Molecular Weight (g/mol)	244.294
ChEBI	CHEBI:82321
MDL Number	MFCD00008372
SMILES	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Synonym	3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b
IUPAC Name	4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
InChI Key	JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula	C14H16N2O2

2-Methoxyphenyl isocyanate, 98%

CAS: 700-87-8 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00002004 InChI Key: SUVCZZADQDCIEQ-UHFFFAOYSA-N Synonym: 2-methoxyphenyl isocyanate,2-methoxyphenylisocyanate,benzene, 1-isocyanato-2-methoxy,o-methoxyphenyl isocyanate,2-isocyanatoanisole,1-isocyanato-2-methoxy-benzene,o-anisylisocyanate,2-methoxybenzenisocyanate,o-anisyl isocyanate,methoxyphenyl isocyanate PubChem CID: 69695 IUPAC Name: 1-isocyanato-2-methoxybenzene SMILES: COC1=CC=CC=C1N=C=O

Pricing and Availability
Specifications

PubChem CID	69695
CAS	700-87-8
Molecular Weight (g/mol)	149.15
MDL Number	MFCD00002004
SMILES	COC1=CC=CC=C1N=C=O
Synonym	2-methoxyphenyl isocyanate,2-methoxyphenylisocyanate,benzene, 1-isocyanato-2-methoxy,o-methoxyphenyl isocyanate,2-isocyanatoanisole,1-isocyanato-2-methoxy-benzene,o-anisylisocyanate,2-methoxybenzenisocyanate,o-anisyl isocyanate,methoxyphenyl isocyanate
IUPAC Name	1-isocyanato-2-methoxybenzene
InChI Key	SUVCZZADQDCIEQ-UHFFFAOYSA-N
Molecular Formula	C8H7NO2

4-Methoxyphenyl isothiocyanate, 98%

CAS: 2284-20-0 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00011676 InChI Key: VRPQCVLBOZOYCG-UHFFFAOYSA-N Synonym: 4-methoxyphenyl isothiocyanate,4-methoxyphenylisothiocyanate,1-isothiocyanato-4-methoxy-benzene,p-methoxyphenyl isothiocyanate,benzene, 1-isothiocyanato-4-methoxy,isothiocyanic acid 4-methoxyphenyl ester,4-methoxybenzenisothiocyanate,4-isothiocyanatoanisole,acmc-1ccqx,p-methoxyphenylisothiocyanate PubChem CID: 75293 IUPAC Name: 1-isothiocyanato-4-methoxybenzene SMILES: COC1=CC=C(C=C1)N=C=S

Pricing and Availability
Specifications

PubChem CID	75293
CAS	2284-20-0
Molecular Weight (g/mol)	165.21
MDL Number	MFCD00011676
SMILES	COC1=CC=C(C=C1)N=C=S
Synonym	4-methoxyphenyl isothiocyanate,4-methoxyphenylisothiocyanate,1-isothiocyanato-4-methoxy-benzene,p-methoxyphenyl isothiocyanate,benzene, 1-isothiocyanato-4-methoxy,isothiocyanic acid 4-methoxyphenyl ester,4-methoxybenzenisothiocyanate,4-isothiocyanatoanisole,acmc-1ccqx,p-methoxyphenylisothiocyanate
IUPAC Name	1-isothiocyanato-4-methoxybenzene
InChI Key	VRPQCVLBOZOYCG-UHFFFAOYSA-N
Molecular Formula	C8H7NOS

3,3'-Dimethoxybenzidine, 97%

CAS: 119-90-4 Molecular Formula: C₁₄H₁₆N₂O₂ Molecular Weight (g/mol): 244.29 MDL Number: MFCD00008372 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

Pricing and Availability
Specifications

PubChem CID	8411
CAS	119-90-4
Molecular Weight (g/mol)	244.29
ChEBI	CHEBI:82321
MDL Number	MFCD00008372
SMILES	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Synonym	3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b
IUPAC Name	4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
InChI Key	JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₆N₂O₂

Aniline and substituted anilines

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