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4-CHLOROPHENETHYL ISOCYANATE, 97%

4-CHLOROPHENETHYL ISOCYANATE, 97% structure

CAS No:
55121-08-9
Formula:
C9H8ClNO
Chemical Name:
4-CHLOROPHENETHYL ISOCYANATE, 97%
Synonyms:
1-chloro-4-(2-isocyanatoethyl)benzene

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4-CHLOROPHENETHYL ISOCYANATE, 97% Basic Attributes

Molecular Weight：

181.619

Exact Mass：

181.02900

DSSTox ID：

DTXSID00496146

Characteristics

PSA：

29.4

XLogP3：

2.21830

Density：

1.186 g/mL at 25ºC(lit.)

Boiling Point：

267-271 °C(lit.)

Flash Point：

95.1ºC

Refractive Index：

n20/D 1.5370(lit.)

Safety Information

Transport codes：

UN22066.1/PG3

hazard class code：

20/21/22-36/37/38-42

safety instructions：

23-26-36/37-45

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:181.62
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:181.0294416
Monoisotopic Mass:181.0294416
Topological Polar Surface Area:29.4
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-CHLOROPHENETHYL ISOCYANATE, 97%

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

4-CHLOROPHENETHYL ISOCYANATE, 97%

SDS

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