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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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

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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-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-Bromo-4,6-dichloroaniline, 98+%

CAS: 697-86-9 Molecular Formula: C6H4BrCl2N Molecular Weight (g/mol): 240.909 MDL Number: MFCD00040936 InChI Key: DTPADCOGQUOGHT-UHFFFAOYSA-N Synonym: pubchem3605,acmc-209ob3,6-bromo-2,4-dichloroaniline,2,4-dichloro-6-bromoaniline,2-bromo-4,6-dichloro-aniline,6-bromo-2,4-dichlorophenylamine,benzenamine,2-bromo-4,6-dichloro,2-bromo-4,6-dichloroaniline,2-bromanyl-4,6-bis chloranyl aniline PubChem CID: 2756901 IUPAC Name: 2-bromo-4,6-dichloroaniline SMILES: C1=C(C=C(C(=C1Cl)N)Br)Cl

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Specifications

PubChem CID	2756901
CAS	697-86-9
Molecular Weight (g/mol)	240.909
MDL Number	MFCD00040936
SMILES	C1=C(C=C(C(=C1Cl)N)Br)Cl
Synonym	pubchem3605,acmc-209ob3,6-bromo-2,4-dichloroaniline,2,4-dichloro-6-bromoaniline,2-bromo-4,6-dichloro-aniline,6-bromo-2,4-dichlorophenylamine,benzenamine,2-bromo-4,6-dichloro,2-bromo-4,6-dichloroaniline,2-bromanyl-4,6-bis chloranyl aniline
IUPAC Name	2-bromo-4,6-dichloroaniline
InChI Key	DTPADCOGQUOGHT-UHFFFAOYSA-N
Molecular Formula	C6H4BrCl2N

4-Amino-2-fluoro-5-methoxybenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals

CAS: 1326283-60-6 Molecular Formula: C13H19BFNO3 Molecular Weight (g/mol): 267.11 MDL Number: MFCD22419265 InChI Key: JWACNMHKJHEWAQ-UHFFFAOYSA-N Synonym: 4-amino-2-fluoro-5-methoxybenzeneboronic acid pinacol ester,5-fluoro-2-methoxy-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline PubChem CID: 67363295 IUPAC Name: 5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: COC1=C(N)C=C(F)C(=C1)B1OC(C)(C)C(C)(C)O1

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Specifications

PubChem CID	67363295
CAS	1326283-60-6
Molecular Weight (g/mol)	267.11
MDL Number	MFCD22419265
SMILES	COC1=C(N)C=C(F)C(=C1)B1OC(C)(C)C(C)(C)O1
Synonym	4-amino-2-fluoro-5-methoxybenzeneboronic acid pinacol ester,5-fluoro-2-methoxy-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline
IUPAC Name	5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI Key	JWACNMHKJHEWAQ-UHFFFAOYSA-N
Molecular Formula	C13H19BFNO3

LiChropur™ N-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, For chiral derivatization, ≥99.0%, MilliporeSigma™ Supelco™

MDL Number: MFCD00042049 Synonym: FDAA; Marfey′s reagent

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Specifications

MDL Number	MFCD00042049
Synonym	FDAA; Marfey′s reagent

4-Methoxyphenyl isocyanate, 99%

CAS: 5416-93-3 Molecular Formula: C₈H₇NO₂ Molecular Weight (g/mol): 149.15 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)	149.15
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

Blue Tetrazolium chloride

CAS: 1871-22-3 Molecular Formula: C40H36Cl2N8O2 Molecular Weight (g/mol): 731.68 MDL Number: MFCD00040933 InChI Key: RCEHREKDVGHYAM-UHFFFAOYSA-N Synonym: blue tetrazolium chloride,tetrazolium blue,tetrazolium blue chloride,blue tetrazolium,dimethoxy neotetrazolium,4-anisyltetrazolium blue,3,3'-3,3'-dimethoxy-1,1'-biphenyl-4,4'-diyl bis 2,5-diphenyl-2h-tetrazol-3-ium chloride,3,3'-dianisole-4,4'-bis 3,5-diphenyltetrazolium chloride,3,3'-dianisolebis 4,4'-3,5-diphenyl tetrazolium chloride,3,3'-3,3'-dimethoxy-4,4'-biphenylene bis 2,5-diphenyl-2h-tetrazolium chloride PubChem CID: 9853362 ChEBI: CHEBI:75198 IUPAC Name: 2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium;dichloride SMILES: [H+].[H+].[Cl-].[Cl-].COC1=CC(=CC=C1N1NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(N2NC(=NN2C2=CC=CC=C2)C2=CC=CC=C2)C(OC)=C1

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Specifications

PubChem CID	9853362
CAS	1871-22-3
Molecular Weight (g/mol)	731.68
ChEBI	CHEBI:75198
MDL Number	MFCD00040933
SMILES	[H+].[H+].[Cl-].[Cl-].COC1=CC(=CC=C1N1NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(N2NC(=NN2C2=CC=CC=C2)C2=CC=CC=C2)C(OC)=C1
Synonym	blue tetrazolium chloride,tetrazolium blue,tetrazolium blue chloride,blue tetrazolium,dimethoxy neotetrazolium,4-anisyltetrazolium blue,3,3'-3,3'-dimethoxy-1,1'-biphenyl-4,4'-diyl bis 2,5-diphenyl-2h-tetrazol-3-ium chloride,3,3'-dianisole-4,4'-bis 3,5-diphenyltetrazolium chloride,3,3'-dianisolebis 4,4'-3,5-diphenyl tetrazolium chloride,3,3'-3,3'-dimethoxy-4,4'-biphenylene bis 2,5-diphenyl-2h-tetrazolium chloride
IUPAC Name	2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium;dichloride
InChI Key	RCEHREKDVGHYAM-UHFFFAOYSA-N
Molecular Formula	C40H36Cl2N8O2

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

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-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

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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

4-Bromo-5-fluoro-2-methoxyaniline, 96%, Thermo Scientific Chemicals

CAS: 330794-03-1 Molecular Formula: C7H7BrFNO Molecular Weight (g/mol): 220.04 MDL Number: MFCD21603958 InChI Key: WOFOKKKWMDHLEX-UHFFFAOYSA-N Synonym: benzenamine, 4-bromo-5-fluoro-2-methoxy PubChem CID: 22347298 IUPAC Name: 4-bromo-5-fluoro-2-methoxyaniline SMILES: COC1=CC(Br)=C(F)C=C1N

Pricing and Availability
Specifications

PubChem CID	22347298
CAS	330794-03-1
Molecular Weight (g/mol)	220.04
MDL Number	MFCD21603958
SMILES	COC1=CC(Br)=C(F)C=C1N
Synonym	benzenamine, 4-bromo-5-fluoro-2-methoxy
IUPAC Name	4-bromo-5-fluoro-2-methoxyaniline
InChI Key	WOFOKKKWMDHLEX-UHFFFAOYSA-N
Molecular Formula	C7H7BrFNO

2-Bromo-3-fluoroaniline, 97%

CAS: 111721-75-6 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD07369915 InChI Key: XZRSXRUYZXBTGD-UHFFFAOYSA-N Synonym: 2-bromo-3-fluorophenylamine,2-bromo-3-fluoro-phenylamine,2-bromo-3-fluorobenzenamine,benzenamine, 2-bromo-3-fluoro,pubchem1523,acmc-1c6kb,2-bromo-3-fluoro-aniline,ksc493i1t,2-bromo-3-fluoro-phenyl-amine PubChem CID: 14770005 IUPAC Name: 2-bromo-3-fluoroaniline SMILES: C1=CC(=C(C(=C1)F)Br)N

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Specifications

PubChem CID	14770005
CAS	111721-75-6
Molecular Weight (g/mol)	190.015
MDL Number	MFCD07369915
SMILES	C1=CC(=C(C(=C1)F)Br)N
Synonym	2-bromo-3-fluorophenylamine,2-bromo-3-fluoro-phenylamine,2-bromo-3-fluorobenzenamine,benzenamine, 2-bromo-3-fluoro,pubchem1523,acmc-1c6kb,2-bromo-3-fluoro-aniline,ksc493i1t,2-bromo-3-fluoro-phenyl-amine
IUPAC Name	2-bromo-3-fluoroaniline
InChI Key	XZRSXRUYZXBTGD-UHFFFAOYSA-N
Molecular Formula	C6H5BrFN

N-Methyl-p-anisidine, 98%

CAS: 5961-59-1 Molecular Formula: C₈H₁₁NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008399 InChI Key: JFXDIXYFXDOZIT-UHFFFAOYSA-N Synonym: n-methyl-p-anisidine,n-methyl-4-anisidine,n-methyl-4-methoxyaniline,benzenamine, 4-methoxy-n-methyl,n-methyl-p-ansidine,p-anisidine, n-methyl,4-methoxy-n-methylbenzenamine,1-methylamino-4-methoxybenzene,p-methoxy-n-methylaniline,acmc-209mes PubChem CID: 22250 IUPAC Name: 4-methoxy-N-methylaniline SMILES: CNC1=CC=C(C=C1)OC

Pricing and Availability
Specifications

PubChem CID	22250
CAS	5961-59-1
Molecular Weight (g/mol)	137.18
MDL Number	MFCD00008399
SMILES	CNC1=CC=C(C=C1)OC
Synonym	n-methyl-p-anisidine,n-methyl-4-anisidine,n-methyl-4-methoxyaniline,benzenamine, 4-methoxy-n-methyl,n-methyl-p-ansidine,p-anisidine, n-methyl,4-methoxy-n-methylbenzenamine,1-methylamino-4-methoxybenzene,p-methoxy-n-methylaniline,acmc-209mes
IUPAC Name	4-methoxy-N-methylaniline
InChI Key	JFXDIXYFXDOZIT-UHFFFAOYSA-N
Molecular Formula	C₈H₁₁NO

Aniline and substituted anilines

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