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3-Isocyanatobenzoyl chloride

3-Isocyanatobenzoyl chloride structure

CAS No:
5180-79-0
Formula:
C8H4ClNO2
Chemical Name:
3-Isocyanatobenzoyl chloride
Synonyms:
Benzoyl chloride,3-isocyanato-;Isocyanic acid,m-(chloroformyl)phenyl ester;m-Isocyanatobenzoyl chloride;3-Isocyanatobenzoyl chloride
Categories:
Pharmaceutical Intermediates > Oled Material Intermediate

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3-Isocyanatobenzoyl chloride Basic Attributes

Molecular Weight：

181.57600

Exact Mass：

181.58

DSSTox ID：

DTXSID10410535

Characteristics

PSA：

46.50000

XLogP3：

2.03290

Density：

1.333

Boiling Point：

60-66 °C @ Press: 0.01 Torr

Flash Point：

107.1ºC

Refractive Index：

n20/D 1.5803(lit.)

Safety Information

Packing level：

Transport codes：

UN 2922 8/PG 1

wgk germany：

hazard class code：

R20/22;R34;R42

safety instructions：

S23-S26-S36/37/39-S45

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H312-H314-H332

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, 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.

Computed Properties

Molecular Weight:181.57
XLogP3:3.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:180.9930561
Monoisotopic Mass:180.9930561
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Isocyanatobenzoyl chloride

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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3-Isocyanatobenzoyl chloride

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