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3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride structure

CAS No:
25629-50-9
Formula:
C11H7Cl2NO2
Chemical Name:
3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride
Synonyms:
4-Isoxazolecarbonyl chloride,3-(2-chlorophenyl)-5-methyl-;4-Isoxazolecarbonyl chloride,3-(o-chlorophenyl)-5-methyl-;3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride;NSC 81237;3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride;3-(2-Chlorophenyl)-5-methylisoxazol-4-carbonyl chloride
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Description

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride is Cream solid

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride Basic Attributes

Molecular Weight：

256.08

Exact Mass：

256.08

BRN：

791931

EC Number：

247-137-4

NSC Number：

81237

HScode：

2934999090

Characteristics

PSA：

43.1

XLogP3：

2.31

Appearance：

Cream solid

Density：

1.4±0.1 g/cm3

Melting Point：

41-42°C

Boiling Point：

381.7±42.0 °C at 760 mmHg

Flash Point：

184.6±27.9 °C

Refractive Index：

1.574

Vapor Pressure：

4.99E-06mmHg at 25°C

Safety Information

Packing level：

Hazard category：

Transport codes：

3261

hazard class code：

safety instructions：

26-36/37/39-45-36/45

Precautionary statement(s)：

P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P337+P313, P363, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P337+P313, P363, P405, and P501|Aggregated GHS information provided by 11 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride Use and Manufacturing

Methods of Manufacturing

Oxidize with o-chlorobenzaldehyde and hydroxylamine hydrochloride under alkaline conditions to produce o-chlorobenzime, then chlorinate with chlorine to obtain o-chlorobenzime chloride, and then combine with ethyl acetoacetate ring to hydrolyze the ester group to generate 3 -(O-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, finally chlorinated with phosphorus pentachloride to obtain the product.

Uses

Used for preparing isoxazolyl penicillin derivatives.

Manufacturing Info：

4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-: ACTIVE

Computed Properties

Molecular Weight:256.08
XLogP3:3.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:254.9853839
Monoisotopic Mass:254.9853839
Topological Polar Surface Area:43.1
Heavy Atom Count:16
Complexity:275
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Hydroxylamine hydrochloride

2-Chlorobenzaldehyde

Recommended Suppliers of 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride

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China Professional Manufacturer Supply Great Quality 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride CAS 25629-50-9

CAS No.: 25629-50-9

Grade: Pharmaceutical Grade

Content: 99%

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Hebei Brant Pharmaceutical Co., Ltd Contact Supplier

CN
YRS

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3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride

CAS No.: 25629-50-9

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Learn More Other Chemicals

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride

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