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4-Amino-3-methylbenzonitrile

CAS No.
78881-21-7
Chemical Name:
4-Amino-3-methylbenzonitrile
Synonyms
4-cyano-o-toluidine;4-amino-m-tolunitrile;2-Amino-5-cyanotoluene;4-cyano-2-methylaniline;2-Methyl-4-Cyanoaniline;3-Methyl-4-Aminobenzonitrile;4-AMINO-3-METHYLBENZONITRILE;Benzonitrile, 4-amino-3-methyl-;4-Amino-3-methylbenzonitrile >4-AMINO-3-METHYLBENZONITRILE, 98+%
CBNumber:
CB1327685
Molecular Formula:
C8H8N2
Molecular Weight:
132.16
MDL Number:
MFCD02093969
MOL File:
78881-21-7.mol
MSDS File:
SDS
Last updated:2026-01-13 11:13:41
Product description Number Pack Size Price
4-Amino-3-methylbenzonitrile AldrichCPR CDS001194 5MG $73.1
4-Amino-3-methylbenzonitrile >97.0%(GC) A2107 1g $46
4-Amino-3-methylbenzonitrile >97.0%(GC) A2107 5g $138
4-Amino-3-methylbenzonitrile OR2931 5g $101
4-Amino-3-methylbenzonitrile 3737-1-Y3 5G $111
More product size

4-Amino-3-methylbenzonitrile Properties

Melting point 93-94°C
Boiling point 304.5±30.0 °C(Predicted)
Density 1.10±0.1 g/cm3(Predicted)
storage temp. Keep in dark place,Inert atmosphere,Room temperature
solubility soluble in Methanol
form powder to crystal
pka 1.58±0.10(Predicted)
color White to Gray to Brown
BRN 3235728
InChI 1S/C8H8N2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,10H2,1H3
InChIKey MBZDCUMFFPWLTJ-UHFFFAOYSA-N
SMILES Cc1cc(ccc1N)C#N
CAS DataBase Reference 78881-21-7(CAS DataBase Reference)
UNSPSC Code 12352200

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS06,GHS07
Signal word  Danger
Hazard statements  H302-H312-H331-H335-H301-H315-H319
Precautionary statements  P261-P304+P340-P305+P351+P338-P501a-P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
Hazard Codes  Xn
Risk Statements  20/21/22-43-20/21-36/37/38
Safety Statements  22-36/37/39-36/37-26-9
RIDADR  3276
WGK Germany  WGK 3
HazardClass  6.1
PackingGroup  III
HS Code  29269090
Storage Class 11 - Combustible Solids
NFPA 704
0
2 0

4-Amino-3-methylbenzonitrile price More Price(33)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich CDS001194 4-Amino-3-methylbenzonitrile AldrichCPR 78881-21-7 5MG $73.1 2025-07-31 Buy
TCI Chemical A2107 4-Amino-3-methylbenzonitrile >97.0%(GC) 78881-21-7 1g $46 2025-07-31 Buy
TCI Chemical A2107 4-Amino-3-methylbenzonitrile >97.0%(GC) 78881-21-7 5g $138 2025-07-31 Buy
Apolloscientific OR2931 4-Amino-3-methylbenzonitrile 78881-21-7 5g $101 2021-12-16 Buy
SynQuest Laboratories 3737-1-Y3 4-Amino-3-methylbenzonitrile 78881-21-7 5G $111 2021-12-16 Buy
Product number Packaging Price Buy
CDS001194 5MG $73.1 Buy
A2107 1g $46 Buy
A2107 5g $138 Buy
OR2931 5g $101 Buy
3737-1-Y3 5G $111 Buy

4-Amino-3-methylbenzonitrile Chemical Properties,Uses,Production

Uses

4-Amino-3-methylbenzonitrile is a useful research chemical used in organic synthesis and other chemical processes.

Chemical Properties

Light yellow powder

Synthesis

3-METHYL-4-NITROBENZONITRILE

96784-54-2

4-Amino-3-methylbenzonitrile

78881-21-7

General procedure for the synthesis of 4-amino-3-methylbenzonitrile from 3-methyl-4-nitrobenzonitrile: 9.89 g (61 mmol, 1 equiv.) of 3-methyl-4-nitrobenzonitrile was added to a stirred 100 mL tetrahydrofuran (THF) solution at room temperature. Subsequently, 1 g of 10% palladium carbon catalyst was added. Next, 25 mL of methanol was added. The reaction system was placed in a hydrogenation unit and the reaction was carried out at a hydrogen pressure of 50 psi. When hydrogen consumption was no longer observed, the reaction was stopped and filtered through diatomaceous earth to remove the catalyst. The product was purified by column chromatography using a 1:1 mixture of hexane and dichloromethane as the mobile phase. 7.5 g of 4-amino-3-methylbenzonitrile in beige powder form was finally obtained in 93% yield. The 1H-NMR (DMSO-d6) data of the product were as follows: δ 2.27 (3H, s), 6.06 (2H, s), 6.41 (1H, d), 6.46 (1H, s), 7.30 (1H, d).

References

[1] Journal of Medicinal Chemistry, 1999, vol. 42, # 18, p. 3572 - 3587
[2] Patent: US2017/44373, 2017, A1. Location in patent: Paragraph 0227; 0228
[3] Patent: US6353006, 2002, B1. Location in patent: Page column 23
[4] Patent: US2005/54655, 2005, A1. Location in patent: Page/Page column 15
[5] Patent: US2004/44203, 2004, A1. Location in patent: Page 27

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View Lastest Price from 4-Amino-3-methylbenzonitrile manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-Amino-3-methylbenzonitrile pictures 2026-01-30 4-Amino-3-methylbenzonitrile
78881-21-7
US $0.00-0.00 / KG 1KG 99% 20 mt Hebei Chuanghai Biotechnology Co., Ltd
4-Amino-3-methylbenzonitrile pictures 2021-08-12 4-Amino-3-methylbenzonitrile
78881-21-7
US $15.00-10.00 / KG 1KG 99%+ HPLC Monthly supply of 1 ton Zhuozhou Wenxi import and Export Co., Ltd
4-Amino-3-methylbenzonitrile pictures 2019-07-14 4-Amino-3-methylbenzonitrile
78881-21-7
US $1.00 / KG 1KG 99% 100kg Career Henan Chemical Co

4-Amino-3-methylbenzonitrile Spectrum

4-AMINO-3-METHYLBENZONITRILE 4-Amino-m-tolunitrile~4-Cyano-o-toluidine 3-Methyl-4-Aminobenzonitrile 2-Methyl-4-Cyanoaniline Benzonitrile, 4-amino-3-methyl- (9CI) 4-amino-m-tolunitrile 4-cyano-o-toluidine 4-cyano-2-methylaniline 4-AMINO-3-METHYLBENZONITRILE, 98+% 2-Amino-5-cyanotoluene 4-Cyano-o-toluidine 4-Cyano-2-methylaniline 2-Amino-5-cyanotoluene Benzonitrile, 4-amino-3-methyl- 4-Amino-3-methylbenzonitrile > 78881-21-7 pharmacetical NITRILE Aromatic Nitriles