3-Methylbenzoyl chloride

Basic Information

View in Editor

CAS Number

1711-06-4

Molecular Formula

C8H7ClO

Molecular Weight

154.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

-23°C

Boiling Point

86 °C/5 mmHg

Water Solubility

Reacts with water.

Refractive Index

n20/D 1.5485(lit.)

SMILES

View in Editor

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

InChI

InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3

InChIKey

YHOYYHYBFSYOSQ-UHFFFAOYSA-N

LogP

2.3740200000000007

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

133

Safety Information

View Safety Information

GHS Hazard Pictograms

H314

H335

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

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

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

3-Methyl-Benzoyl Chloride
NSC-97207
m-toluoylchloride
Q-200389
m-Toluoyl chloride
MFCD00000681
F2190-0040
BRN 0878419
m-Toluyl chloride
A811288
Q27292234
W2VJW4350K
m-Methylbenzoyl chloride
3-toluoyl-chloride
3-toluoylchloride
FT-0629018
T0309
CCRIS 8619
InChI=1/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H
Benzoyl chloride, 3-methyl-
NSC97207
NS00025613
NSC 97207
1711-06-4
UNII-W2VJW4350K
DTXSID0061905
3-methylbenzoic acid chloride
FS-4487
Toluoyl chloride
Meta methyl benzoyl chloride
AM82911

MDL Number

MFCD00000681

Customs Code

2916399090

FAQ

What is 3-Methylbenzoyl chloride (CAS: 1711-06-4)?

3-Methylbenzoyl chloride, with the chemical formula C8H7ClO, is an organic compound that belongs to the class of aromatic acyl chlorides. It is a colorless liquid with a pungent odor, commonly used as an intermediate in organic synthesis. The compound is characterized by its reactivity due to the acyl chloride group, and it is soluble in organic solvents such as ethanol and ether.

What are the main uses of 3-Methylbenzoyl chloride (CAS: 1711-06-4)?

3-Methylbenzoyl chloride is primarily used in the pharmaceutical industry as a building block for synthesizing various drugs and agrochemicals. It also finds applications in research for creating derivatives and in industrial settings for producing specialty chemicals. Its utility stems from its ability to undergo nucleophilic substitution reactions, making it valuable in the development of new compounds.

Is 3-Methylbenzoyl chloride (CAS: 1711-06-4) safe?

3-Methylbenzoyl chloride is considered hazardous and should be handled with care. It can cause irritation to the skin, eyes, and respiratory system. Safety standards recommend using appropriate personal protective equipment (PPE) such as gloves, goggles, and a fume hood. It is important to follow all safety protocols to minimize exposure and ensure safe handling.

How should 3-Methylbenzoyl chloride (CAS: 1711-06-4) be stored?

3-Methylbenzoyl chloride should be stored in a cool, dry, and well-ventilated area, away from moisture and light. It is best kept in a sealed container made of glass or high-density polyethylene (HDPE) to prevent degradation. Storage at temperatures below 25°C is recommended to maintain stability and prolong shelf life.