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Chloroacetyl isocyanate

Chloroacetyl isocyanate structure

CAS No:
4461-30-7
Formula:
C3H2ClNO2
Chemical Name:
Chloroacetyl isocyanate
Synonyms:
Acetyl isocyanate,2-chloro-;Acetic acid,chloro-,anhydride with isocyanic acid;Acetyl isocyanate,chloro-;Isocyanic acid,anhydride with chloroacetic acid;2-Chloroacetyl isocyanate;Chloroacetyl isocyanate
Categories:
Chemical Reagents > Organic Reagents

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Description

CLEAR YELLOW LIQUID

Chloroacetyl isocyanate Basic Attributes

Molecular Weight：

119.51

Exact Mass：

119.51

BRN：

1904273

EC Number：

224-715-4

UNII：

H5WF2AMH7J

DSSTox ID：

DTXSID30196248

HScode：

2929109000

Characteristics

PSA：

46.5

XLogP3：

0.08760

Appearance：

Clear yellow Liquid

Density：

1.403

Melting Point：

<25 °C

Boiling Point：

52.5 °C

Flash Point：

61 °C

Refractive Index：

1.463

Storage Conditions：

-20°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3080

wgk germany：

hazard class code：

34-20/21/22-14-25-42

safety instructions：

8-45-36/37/39-26

Marks：

C,T

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338-P310

Hazard Statements：

H301-H314-H334

GHS Classification：

|Danger|H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P280, P285, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P330, P342+P311, P363, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

chloroacetyl isocyanate

Computed Properties

Molecular Weight:119.50
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:118.9774060
Monoisotopic Mass:118.9774060
Topological Polar Surface Area:46.5
Heavy Atom Count:7
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1,2-Dichloroethane

Oxalyl chloride

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Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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CHLOROACETYL ISOCYANATE

CAS No.: 4461-30-7

Grade: Industrial Grade

Content: 99.0%

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