4-Chloro-3-methylaniline

Basic Information

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CAS Number

7149-75-9

Molecular Formula

C7H8ClN

Molecular Weight

141.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

83.0 to 87.0 deg-C

Boiling Point

230.64°C (rough estimate)

Density

1.1359 (rough estimate)

Flash Point

99.8℃

Refractive Index

1.5880 (estimate)

SMILES

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

InChI

InChI=1S/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3

InChIKey

HIHCTGNZNHSZPP-UHFFFAOYSA-N

LogP

2.23062

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

94.9

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H370 Causes damage to organs
Specific target organ toxicity, single exposure

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Sensitive to air

Synonyms & References

English

NCIOpen2_000389
GEO-00704
6Q2W6L7BWZ
4-chloro-3-methylphenylamine
HIHCTGNZNHSZPP-UHFFFAOYSA-
4-chloro-3-methyl aniline
5-Amino-2-chlorotoluene
4-chloro-3-methyl-aniline
SY011127
4-Chloro-3-methyl-phenylamine
2-CHLORO-5-AMINOTOLUENE
4-Chloro-m-toluidine
4-Chlor-m-toluidin
3-METHYL-4-CHLOROANILINE
UNII-6Q2W6L7BWZ
A837210
InChI=1/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
4-Chloro-3-methylaniline
Benzenamine, 4-chloro-3-methyl-
4-Chloro-3-methylaniline, 98%
F0001-1836
DTXSID5073377
NSC-72329
NSC72329
CS-W002307
AS-11595
m-Toluidine, 4-chloro-
NSC 72329
TD1176
4-Chloro-3-Methylbenzenamine
(4-Chloro-3-methylphenyl)amine

MDL Number

MFCD00066332

Customs Code

2921430090

FAQ

What are the physical and chemical properties of 4-Chloro-3-methylaniline (CAS: 7149-75-9)?

4-Chloro-3-methylaniline is a white crystalline solid with a molecular weight of approximately 169.59 g/mol. It is slightly soluble in water and soluble in organic solvents like ethanol and acetone. It is moderately reactive, particularly towards nucleophiles and electrophiles, and can undergo substitution reactions. The compound is often used in organic synthesis due to its reactivity.

How is 4-Chloro-3-methylaniline (CAS: 7149-75-9) typically synthesized?

4-Chloro-3-methylaniline is commonly synthesized via the reaction of 3-methylaniline with chlorine gas or chloromethylbenzene. The reaction typically proceeds under mild conditions, often in the presence of a phase transfer catalyst. The yield is around 70-80%, with good selectivity towards the desired product.

What industries use 4-Chloro-3-methylaniline (CAS: 7149-75-9)?

4-Chloro-3-methylaniline is primarily used in the pharmaceutical industry for the synthesis of drugs, particularly those that require chlorine substituents. It is also utilized in the production of certain dyes and pigments, as well as in the manufacturing of organic semiconductors and sensors.

What precautions should be taken when handling 4-Chloro-3-methylaniline (CAS: 7149-75-9)?

When handling 4-Chloro-3-methylaniline, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the area should be monitored for any contamination. Always refer to the Safety Data Sheet (SDS) for detailed safety information.