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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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1

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

EDGE
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

2-Chloro-5-methoxyaniline, 98+%

CAS: 2401-24-3 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.597 MDL Number: MFCD00047830 InChI Key: GBOUQGUQUUPGLO-UHFFFAOYSA-N Synonym: 6-chloro-m-anisidine,3-amino-4-chloroanisole,benzenamine, 2-chloro-5-methoxy,2-chloro-5-methoxy-aniline,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxy-phenylamine,2-chloro-5-methoxybenzenamine hydrochloride,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,timtec-bb sbb008038 PubChem CID: 75460 IUPAC Name: 2-chloro-5-methoxyaniline SMILES: COC1=CC(=C(C=C1)Cl)N

PubChem CID 75460
CAS 2401-24-3
Molecular Weight (g/mol) 157.597
MDL Number MFCD00047830
SMILES COC1=CC(=C(C=C1)Cl)N
Synonym 6-chloro-m-anisidine,3-amino-4-chloroanisole,benzenamine, 2-chloro-5-methoxy,2-chloro-5-methoxy-aniline,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxy-phenylamine,2-chloro-5-methoxybenzenamine hydrochloride,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,timtec-bb sbb008038
IUPAC Name 2-chloro-5-methoxyaniline
InChI Key GBOUQGUQUUPGLO-UHFFFAOYSA-N
Molecular Formula C7H8ClNO
3

2,4-Dibromo-6-nitroaniline, 99%

CAS: 827-23-6 Molecular Formula: C6H4Br2N2O2 Molecular Weight (g/mol): 295.918 MDL Number: MFCD00012107 InChI Key: OBTUHOVIVLDLLD-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dibromo-6-nitro,2,4-dibromo-6-nitrophenylamine,2,4-dibromo-6-nitrobenzenamine,acmc-209pq0,2-nitro-4,6-dibromoaniline,4,6-dibromo-2-nitroaniline,2,4-dibromo-6-nitro-aniline,2,4-dibromo-6-nitro-phenylamine,aniline, 2,4-dibromo-6-nitro,benzenamine,2,4-dibromo-6-nitro PubChem CID: 70009 IUPAC Name: 2,4-dibromo-6-nitroaniline SMILES: C1=C(C=C(C(=C1Br)N)[N+](=O)[O-])Br

PubChem CID 70009
CAS 827-23-6
Molecular Weight (g/mol) 295.918
MDL Number MFCD00012107
SMILES C1=C(C=C(C(=C1Br)N)[N+](=O)[O-])Br
Synonym benzenamine, 2,4-dibromo-6-nitro,2,4-dibromo-6-nitrophenylamine,2,4-dibromo-6-nitrobenzenamine,acmc-209pq0,2-nitro-4,6-dibromoaniline,4,6-dibromo-2-nitroaniline,2,4-dibromo-6-nitro-aniline,2,4-dibromo-6-nitro-phenylamine,aniline, 2,4-dibromo-6-nitro,benzenamine,2,4-dibromo-6-nitro
IUPAC Name 2,4-dibromo-6-nitroaniline
InChI Key OBTUHOVIVLDLLD-UHFFFAOYSA-N
Molecular Formula C6H4Br2N2O2
4

o-Dianisidine dihydrochloride, 98%

CAS: 20325-40-0 Molecular Formula: C14H18Cl2N2O2 Molecular Weight (g/mol): 317.21 MDL Number: MFCD00012488 InChI Key: UXTIAFYTYOEQHV-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine dihydrochloride,o-dianisidine dihydrochloride,3,3'-dimethoxy-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-qv96qa6ukk,dianisidine dihydrochloride,ccris 998,o-dianisidine hcl,qv96qa6ukk,c.i. disperse black 6 dihydrochloride PubChem CID: 62311 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;dihydrochloride SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl

PubChem CID 62311
CAS 20325-40-0
Molecular Weight (g/mol) 317.21
MDL Number MFCD00012488
SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl
Synonym 3,3'-dimethoxybenzidine dihydrochloride,o-dianisidine dihydrochloride,3,3'-dimethoxy-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-qv96qa6ukk,dianisidine dihydrochloride,ccris 998,o-dianisidine hcl,qv96qa6ukk,c.i. disperse black 6 dihydrochloride
IUPAC Name 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;dihydrochloride
InChI Key UXTIAFYTYOEQHV-UHFFFAOYSA-N
Molecular Formula C14H18Cl2N2O2
5

p-Anisidine hydrochloride, 99%

CAS: 20265-97-8 Molecular Formula: C7H9NO·HCl Molecular Weight (g/mol): 159.61 MDL Number: MFCD00036388 InChI Key: VQYJLACQFYZHCO-UHFFFAOYSA-N Synonym: p-anisidine hydrochloride,4-methoxyaniline hydrochloride,unii-7c4r75n8vg,benzenamine, 4-methoxy-, hydrochloride,p-anisidine.hcl,p-anisidine hcl,p-anisidinium chloride,4-anisidine hydrochloride,p-anisylamine hydrochloride,p-aminoanisole hydrochloride PubChem CID: 2734956 IUPAC Name: 4-methoxyaniline;hydrochloride SMILES: COC1=CC=C(C=C1)N.Cl

PubChem CID 2734956
CAS 20265-97-8
Molecular Weight (g/mol) 159.61
MDL Number MFCD00036388
SMILES COC1=CC=C(C=C1)N.Cl
Synonym p-anisidine hydrochloride,4-methoxyaniline hydrochloride,unii-7c4r75n8vg,benzenamine, 4-methoxy-, hydrochloride,p-anisidine.hcl,p-anisidine hcl,p-anisidinium chloride,4-anisidine hydrochloride,p-anisylamine hydrochloride,p-aminoanisole hydrochloride
IUPAC Name 4-methoxyaniline;hydrochloride
InChI Key VQYJLACQFYZHCO-UHFFFAOYSA-N
Molecular Formula C7H9NO·HCl
6

2-Bromo-5-fluoroaniline 98.0+%, TCI America™

CAS: 1003-99-2 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD00070750 InChI Key: FWTXFEKVHSFTDQ-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-5-fluoro,2-bromo-5-fluorobenzenamine,2-bromo-5-fluoro-aniline,2-bromo-5-fluoro-phenylamine,2-bromo-5-fluoro-benzenamine,2-bromo-5-fluorophenylamine,pubchem1524,5-fluoro-2-bromoaniline,2-bromo-5-fluoro aniline,acmc-1c3a5 PubChem CID: 2773317 IUPAC Name: 2-bromo-5-fluoroaniline SMILES: C1=CC(=C(C=C1F)N)Br

PubChem CID 2773317
CAS 1003-99-2
Molecular Weight (g/mol) 190.015
MDL Number MFCD00070750
SMILES C1=CC(=C(C=C1F)N)Br
Synonym benzenamine, 2-bromo-5-fluoro,2-bromo-5-fluorobenzenamine,2-bromo-5-fluoro-aniline,2-bromo-5-fluoro-phenylamine,2-bromo-5-fluoro-benzenamine,2-bromo-5-fluorophenylamine,pubchem1524,5-fluoro-2-bromoaniline,2-bromo-5-fluoro aniline,acmc-1c3a5
IUPAC Name 2-bromo-5-fluoroaniline
InChI Key FWTXFEKVHSFTDQ-UHFFFAOYSA-N
Molecular Formula C6H5BrFN
7

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

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
8

3-Fluoro-4-methoxyaniline, 99%

CAS: 366-99-4 Molecular Formula: C7H8FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD00075040 InChI Key: LJWAPDSCYTZUJU-UHFFFAOYSA-N Synonym: 3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine PubChem CID: 581110 IUPAC Name: 3-fluoro-4-methoxyaniline SMILES: COC1=C(C=C(C=C1)N)F

PubChem CID 581110
CAS 366-99-4
Molecular Weight (g/mol) 141.15
MDL Number MFCD00075040
SMILES COC1=C(C=C(C=C1)N)F
Synonym 3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine
IUPAC Name 3-fluoro-4-methoxyaniline
InChI Key LJWAPDSCYTZUJU-UHFFFAOYSA-N
Molecular Formula C7H8FNO
9

p-Anisidine, 99%

CAS: 104-94-9 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 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

PubChem CID 7732
CAS 104-94-9
Molecular Weight (g/mol) 123.15
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
10

m-Anisidine, 99%

CAS: 536-90-3 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 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

PubChem CID 10824
CAS 536-90-3
Molecular Weight (g/mol) 123.15
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
11

3-Methoxyphenyl isocyanate, 99%

CAS: 18908-07-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00002019 InChI Key: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC Name: 1-isocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=O

PubChem CID 87843
CAS 18908-07-1
Molecular Weight (g/mol) 149.149
MDL Number MFCD00002019
SMILES COC1=CC=CC(=C1)N=C=O
Synonym 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate
IUPAC Name 1-isocyanato-3-methoxybenzene
InChI Key NPOVTGVGOBJZPY-UHFFFAOYSA-N
Molecular Formula C8H7NO2
12

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

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
13

3-Methoxyphenyl isocyanate, 99%

CAS: 18908-07-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00002019 InChI Key: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC Name: 1-isocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=O

PubChem CID 87843
CAS 18908-07-1
Molecular Weight (g/mol) 149.15
MDL Number MFCD00002019
SMILES COC1=CC=CC(=C1)N=C=O
Synonym 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate
IUPAC Name 1-isocyanato-3-methoxybenzene
InChI Key NPOVTGVGOBJZPY-UHFFFAOYSA-N
Molecular Formula C8H7NO2
14

eMolecules​ Ambeed / 5-Bromo-2-methoxybenzonitrile / 250mg / 521434039 / A295684 / / 144649-99-0 / MFCD00143429 / 212.046 / C8H6BrNO

Ambeed / 5-Bromo-2-methoxybenzonitrile / 250mg / 521434039 / A295684 / / 144649-99-0 / MFCD00143429 / 212.046 / C8H6BrNO

ENCOMPASS_PREFERRED
15

Sigma Aldrich p-Anisidine

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS
Boiling Point 240°C to 243°C (lit.)
Percent Purity 99%
Linear Formula CH3OC6H4NH2
CAS 104-94-9
Molecular Weight (g/mol) 123.15
MDL Number MFCD00007864
Synonym 4-Aminoanisole; 4-Methoxyaniline
Recommended Storage Room Temperature
Molecular Formula C7H9NO
Melting Point 56°C to 59°C (lit.)