4-Amino-3-methylbenzonitrile

Basic Information

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CAS Number

78881-21-7

Molecular Formula

C8H8N2

Molecular Weight

132.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

91.0 to 95.0 deg-C

Boiling Point

304.5±30.0 °C at 760 mmHg

Density

1.1

Flash Point

138.0±24.6 °C

Refractive Index

1.575

SMILES

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CC1=C(C=CC(=C1)C#N)N

InChI

InChI=1S/C8H8N2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,10H2,1H3

InChIKey

MBZDCUMFFPWLTJ-UHFFFAOYSA-N

LogP

2.03008

Complexity

156

Safety Information

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GHS Hazard Pictograms

H331

H302

H312

H315

H319

H335

Hazard Statement

H331 Toxic if inhaled
Acute toxicity, inhalation

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

对空气敏感

Synonyms & References

English

DTXSID80426623
AM20041177
78881-21-7
AC-5205
4-Amino-3-methylbenzonitrile
MFCD02093969
4-Amino-3-methyl benzonitrile
4-Cyano-2-methylaniline
4-amino-3-methyl-benzonitrile
CS-W011091
AS-45999
4-Amino-3-methylbenzonitrile, AldrichCPR
J-514368
A9884
AKOS009159042
MBZDCUMFFPWLTJ-UHFFFAOYSA-N
BP-12799
SCHEMBL627108
SY008263
CL8203
4-Cyano-o-toluidine
4-Cyano-2-methyianiline
4-azanyl-3-methyl-benzenecarbonitrile
A839522
FT-0617499
Benzonitrile, 4-amino-3-methyl-
4-amino-5-methyl-benzonitrile
2-Amino-5-cyanotoluene
EN300-108962
4-Amino-m-tolunitrile~4-Cyano-o-toluidine
3-methyl-4-aminobenzonitrile

MDL Number

MFCD02093969

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-Amino-3-methylbenzonitrile (CAS: 78881-21-7)?

4-Amino-3-methylbenzonitrile is a white crystalline solid with a molecular weight of 155.16 g/mol. It is slightly soluble in water and more soluble in organic solvents like acetone and ethanol. Chemically, it is reactive towards electrophiles and can participate in substitution reactions.

How is 4-Amino-3-methylbenzonitrile (CAS: 78881-21-7) typically synthesized?

4-Amino-3-methylbenzonitrile is typically synthesized by the reaction of 3-methylbenzoyl chloride with ammonia. This process involves the substitution of a chlorine atom with an amino group, yielding the desired product with high selectivity and yield.

What industries use 4-Amino-3-methylbenzonitrile (CAS: 78881-21-7)?

4-Amino-3-methylbenzonitrile is used in the pharmaceutical industry as an intermediate in the synthesis of various drug candidates. It also finds applications in the polymer industry for the production of certain types of resins and in the sensor industry for developing gas detection devices.

What precautions should be taken when handling 4-Amino-3-methylbenzonitrile (CAS: 78881-21-7)?

When handling 4-Amino-3-methylbenzonitrile, use personal protective equipment like gloves, goggles, and lab coats. Store it in a cool, well-ventilated area, away from heat sources. In case of spills, use appropriate absorbent materials and dispose of them according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.