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5-CHLORO-2-ISOCYANATOBENZONITRILE

5-CHLORO-2-ISOCYANATOBENZONITRILE structure

CAS No:
64411-72-9
Formula:
C8H3ClN2O
Chemical Name:
5-CHLORO-2-ISOCYANATOBENZONITRILE

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5-CHLORO-2-ISOCYANATOBENZONITRILE Basic Attributes

Molecular Weight：

178.575

Exact Mass：

177.993

DSSTox ID：

DTXSID00397301

Characteristics

PSA：

53.2

XLogP3：

3.1

Density：

1.26±0.1 g/cm3(Predicted)

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:178.57
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:177.9933904
Monoisotopic Mass:177.9933904
Topological Polar Surface Area:53.2
Heavy Atom Count:12
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-CHLORO-2-ISOCYANATOBENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-CHLORO-2-ISOCYANATOBENZONITRILE

SDS

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