4-(Chloromethyl)benzoic acid

Basic Information

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CAS Number

1642-81-5

Molecular Formula

C8H7ClO2

Molecular Weight

170.6 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

204.0 to 208.0 deg-C

Boiling Point

317.7℃ at 760 mmHg

Density

1.315

Flash Point

145.9°C

SMILES

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C1=CC(=CC=C1CCl)C(=O)O

InChI

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

InChIKey

OITNBJHJJGMFBN-UHFFFAOYSA-N

LogP

2.1235999999999997

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

139

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

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

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

NSC 123935
4-(Chloromethyl)benzoicacid
NSC123935
NSC-123935
W-107944
.alpha.-Chloro-p-toluylic acid
Benzoic acid, 4-(chloromethyl)-
BCP24466
A810550
InChI=1/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11
CK2167
4-(Chloromethyl)benzoic acid
Z111868896
1642-81-5
AKOS000268707
alpha-Chloro-p-toluic acid
MFCD00002568
EINECS 216-697-1
P-(CHLOROMETHYL)BENZOIC ACID
C8H7ClO2
AC-5913
alpha-Chloro-p-toluylic acid
4-(chloromethyl)-benzoic acid
L3C
4-Chloromethyl-benzoic acid
4-(Chloromethyl)benzoic acid, 95%
NS00025372
alpha-chloroparatoluic acid
4-(chloromethyl)benzoate;4-(Chloromethyl)benzoic acid
STR04662
4-Chloromethylbenzoic acid

MDL Number

MFCD00002568

Customs Code

2916399090

FAQ

What is 4-(Chloromethyl)benzoic acid (CAS: 1642-81-5)?

4-(Chloromethyl)benzoic acid (CAS: 1642-81-5) is an organic compound with the chemical formula C8H7ClO2. It features a benzene ring substituted with a chloromethyl group and a carboxylic acid group. This compound is typically a white solid, known for its reactivity and use as an intermediate in chemical synthesis. Its molecular structure makes it relevant in pharmaceutical and industrial applications.

What are the main uses of 4-(Chloromethyl)benzoic acid (CAS: 1642-81-5)?

4-(Chloromethyl)benzoic acid (CAS: 1642-81-5) is primarily used in pharmaceuticals as a key intermediate for synthesizing drugs, including antifungal and anti-inflammatory agents. In industry, it serves as a precursor for dyes, pesticides, and other organic compounds. Its versatility also supports research in chemical modification and functional group chemistry, making it valuable in various scientific fields.

Is 4-(Chloromethyl)benzoic acid (CAS: 1642-81-5) safe?

4-(Chloromethyl)benzoic acid (CAS: 1642-81-5) requires careful handling due to its potential to cause skin and eye irritation. Inhalation may lead to respiratory issues, and it is classified as a hazardous substance. Safety measures include using personal protective equipment (PPE), ensuring proper ventilation, and adhering to OSHA and EPA guidelines. Always follow safety protocols when working with this compound.

How should 4-(Chloromethyl)benzoic acid (CAS: 1642-81-5) be stored?

4-(Chloromethyl)benzoic acid (CAS: 1642-81-5) should be stored in a cool, dry, and dark place, ideally at 25°C. Keep it in a sealed, airtight container to prevent moisture exposure. Avoid contact with air and light to maintain stability. Store in a well-ventilated area, and ensure proper labeling to comply with chemical safety standards.