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Trichloroacetyl isocyanate

Trichloroacetyl isocyanate structure

CAS No:
3019-71-4
Formula:
C3Cl3NO2
Chemical Name:
Trichloroacetyl isocyanate
Synonyms:
Acetyl isocyanate,2,2,2-trichloro-;Acetyl isocyanate,trichloro-;Acetic acid,trichloro-,anhydride with isocyanic acid;Isocyanic acid,anhydride with trichloroacetic acid;2,2,2-Trichloroacetyl isocyanate;Trichloroacetyl isocyanate;α,α,α-Trichloroacetyl isocyanate;82631-56-9
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to slightly yellow liquid

Trichloroacetyl isocyanate Basic Attributes

Molecular Weight：

188.4

Exact Mass：

188.40

BRN：

971201

EC Number：

221-165-7

UNII：

QXV1P5J6JL

DSSTox ID：

DTXSID7062790

HScode：

2929109000

Characteristics

PSA：

46.5

XLogP3：

2.38

Appearance：

Clear colorless to slightly yellow Liquid

Density：

1.7±0.1 g/cm3

Melting Point：

135-140 °C

Boiling Point：

80-85 °C @ Press: 20 Torr

Flash Point：

150 °F

Refractive Index：

1.539

Water Solubility：

H2O: Decomposition.Miscible with dichloromethane, ether, terahydrofuran and protic solvents.

Storage Conditions：

2-8°C

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 3

wgk germany：

hazard class code：

14-23/24-34-42-23/24/25-36/37/38

safety instructions：

23-26-36/37/39-45-8-7/9

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H311-H314-H331-H334

GHS Classification：

|Danger|H311 (86.96%): Toxic in contact with skin [Danger Acute toxicity, dermal]|P260, P261, P264, P271, P280, P285, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P311, P312, P321, P322, P342+P311, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

CCl3CONCO

Trichloroacetyl isocyanate Use and Manufacturing

Manufacturing Info：

Acetyl isocyanate, 2,2,2-trichloro-: ACTIVE

Computed Properties

Molecular Weight:188.39
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Exact Mass:186.899461
Monoisotopic Mass:186.899461
Topological Polar Surface Area:46.5
Heavy Atom Count:9
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Oxalyl chloride

Trichloroisocyanuric acid

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CAS No.: 3019-71-4

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Guide of Trichloroacetyl isocyanate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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Trichloroacetyl isocyanate

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