3-(Chloromethyl)benzoic acid

Basic Information

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CAS Number

31719-77-4

Molecular Formula

C8H7ClO2

Molecular Weight

170.59 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

136-138 °C

Boiling Point

327.2℃ at 760 mmHg

Density

1.315

Flash Point

151.7℃

Solubility

methanol: 20 mg/mL, clear

SMILES

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C1=CC(=CC(=C1)C(=O)O)CCl

InChI

InChI=1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

PBSUMBYSVFTMNG-UHFFFAOYSA-N

LogP

2.1235999999999997

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

147

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

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

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 8 Class 8

Synonyms & References

English

FT-0600632
AM20050531
STR05265
AKOS008969274
SCHEMBL46680
a-Chloro-m-toluic acid
3-Chloromethyl-benzoic acid
Benzoic acid, 3-(chloromethyl)-
3-(Chloromethyl)benzoic acid
CS-W010779
NSC-49611
AC-17000
PBSUMBYSVFTMNG-UHFFFAOYSA-N
EN300-30794
InChI=1/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11
3-chloromethylbenzoic acid
3-(Chloromethyl)benzoic acid, 97%
3-Chloromethyl Benzoic Acid
Z57834460
MFCD00191922
DTXSID00287192
3-(chloromethyl)-benzoic acid
CHEMBL67150
J-510844
31719-77-4
NSC49611
AC-907/25014203
3-(Chloromethyl)benzoicAcid
alpha-chloro-M-toluic acid
3-(Chloromethyl)Benzoic
α-chloro-m-toluic acid

MDL Number

MFCD00191922

Customs Code

2916399090

FAQ

What is 3-(Chloromethyl)benzoic acid (CAS: 31719-77-4)?

3-(Chloromethyl)benzoic acid is a organic compound with the chemical formula C8H6ClNO2. It is a carboxylic acid derivative with a chloromethyl group attached to the benzene ring. This compound is soluble in water and ethanol, and it is commonly used in pharmaceuticals and research applications.

What are the main uses of 3-(Chloromethyl)benzoic acid (CAS: 31719-77-4)?

3-(Chloromethyl)benzoic acid is primarily used in the synthesis of pharmaceuticals, particularly as an intermediate in the production of various drugs. It is also used in research for studying organic reactions and as a reagent in chemical synthesis.

Is 3-(Chloromethyl)benzoic acid (CAS: 31719-77-4) safe?

3-(Chloromethyl)benzoic acid can be toxic if ingested or inhaled. It is important to handle this compound with appropriate personal protective equipment, such as gloves and goggles, and to ensure good ventilation. It should be stored in a cool, dry place, away from heat and direct sunlight. Follow all safety guidelines and local regulations.

How should 3-(Chloromethyl)benzoic acid (CAS: 31719-77-4) be stored?

3-(Chloromethyl)benzoic acid should be stored in a tightly sealed container in a cool, dry place, away from heat and direct sunlight. It is best to keep it at a temperature below 25°C and with a relative humidity below 60%. Do not store it near incompatible materials, such as strong oxidizers or reducing agents.