2-Chlorobenzamide

Basic Information

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CAS Number

609-66-5

Molecular Formula

C7H6ClNO

Molecular Weight

155.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

141.0 to 144.0 deg-C

Boiling Point

275ºC

Density

1.2187 (rough estimate)

Flash Point

120.1 ºC

Refractive Index

1.5618 (estimate)

SMILES

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

InChI

InChI=1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)

InChIKey

RBGDLYUEXLWQBZ-UHFFFAOYSA-N

LogP

1.4389

Topological Polar Surface Area

43.09 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

138

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXCID7030850
4-09-00-00963 (Beilstein Handbook Reference)
EINECS 210-195-6
NSC406895
AI3-09664
SCHEMBL263770
FT-0632540
NSC-406895
dichlobenil TP3
CS-W016248
W-105219
Benzamide, o-chloro- (6CI,7CI,8CI); NSC 406895; o-Chlorobenzamide
InChI=1/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10
o-Chlorobenzamide
AC-10269
UNII-KE1M5I9I32
EC 210-195-6
AJ-333/25022002
CAS-609-66-5
CHEMBL3561242
BRN 0508510
2-Chlorobenzamide, 98%
2-Chlorobenzamide
EN300-1232903
chlorobenzamide
F1084-0242
Benzamide, 2-chloro-
NCGC00357061-01
NS00008088
609-66-5
c1389

MDL Number

MFCD00007973

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 2-Chlorobenzamide (CAS: 609-66-5)?

2-Chlorobenzamide (CAS: 609-66-5) is a white crystalline solid with a molecular weight of approximately 164.62 g/mol. It is slightly soluble in water and more soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can undergo hydrolysis in acidic conditions. Its melting point is around 128-130°C.

How is 2-Chlorobenzamide (CAS: 609-66-5) typically synthesized?

2-Chlorobenzamide can be synthesized via the acylation of 2-chlorobenzoic acid with an amine, such as aniline, using a coupling agent like dicyclohexylcarbodiimide (DCC) or 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC). The reaction typically requires a base like diisopropylethylamine (DIPEA) and occurs at room temperature or slightly elevated temperatures. The yield is generally high, and the process is relatively straightforward.

What industries use 2-Chlorobenzamide (CAS: 609-66-5)?

2-Chlorobenzamide (CAS: 609-66-5) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the polymer industry for modifying the properties of polymers and in the production of sensors and semiconductors for their specific chemical and physical reactivity.

What precautions should be taken when handling 2-Chlorobenzamide (CAS: 609-66-5)?

When handling 2-Chlorobenzamide (CAS: 609-66-5), safety precautions include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.