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2-Chloro-3-oxo-N-phenylbutanamide

2-Chloro-3-oxo-N-phenylbutanamide structure

CAS No:
31844-92-5
Formula:
C10H10ClNO2
Chemical Name:
2-Chloro-3-oxo-N-phenylbutanamide
Synonyms:
Butanamide,2-chloro-3-oxo-N-phenyl-;Acetoacetanilide,2-chloro-;2-Chloro-3-oxo-N-phenylbutanamide;α-Chloroacetoacetanilide;2-Chloroacetoacetanilide;α-Acetyl-α-chloroacetanilide;N-Phenyl-2-chloroacetoacetamide;119878-78-3
Categories:
Organic Chemistry > Amides

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2-Chloro-3-oxo-N-phenylbutanamide Basic Attributes

Molecular Weight：

211.64

Exact Mass：

211.64

EC Number：

250-835-1

DSSTox ID：

DTXSID90276479

HScode：

2924299090

Characteristics

PSA：

46.2

XLogP3：

1.89450

Density：

1.287g/cm3

Melting Point：

137.5 °C

Boiling Point：

379.2ºC at 760mmHg

Flash Point：

183.1ºC

Refractive Index：

1.578

Safety Information

Hazard category：

IRRITANT

Drug Information

MeSH Entry Terms：

2-chloroacetoacetanilide

2-Chloro-3-oxo-N-phenylbutanamide Use and Manufacturing

Methods of Manufacturing

In a reaction flask equipped with a stirrer, a reflux condenser and a thermometer, 18 g (0.1 mol) of acetoacetanilide was suspended in 120 ml of toluene. Start the stirrer, add 14.2g (0.105mol) thionyl chloride dropwise at a liquid temperature of about 20°C, control the reaction temperature at 25-30°C, finish the dropwise addition in half an hour, and continue the heat preservation reaction for 2.5h to obtain α-chloro The toluene suspension of acetoacetanilide is desolvated and refined to obtain the finished product.

Uses

Pesticide intermediates.

Manufacturing Info：

Butanamide, 2-chloro-3-oxo-N-phenyl-: INACTIVE

Computed Properties

Molecular Weight:211.64
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:211.0400063
Monoisotopic Mass:211.0400063
Topological Polar Surface Area:46.2
Heavy Atom Count:14
Complexity:224
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Chloro-3-oxo-N-phenylbutanamide

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
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2-Chloro-3-oxo-N-phenylbutanamide

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