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4-CHLOROBENZOYLACETONITRILE

4-CHLOROBENZOYLACETONITRILE structure

CAS No:
4640-66-8
Formula:
C9H6ClNO
Chemical Name:
4-CHLOROBENZOYLACETONITRILE
Synonyms:
TOSYLATE;4-Chlorophenacylcyanide;p-ChlorophenacylCyanide;4-CHLOROBENZOYLACETONITRILE;4-chlorobenzoylacetonitirle;p-Chloro-2-cyanoacetophenone;4-Chlorobenzoylacetonitrile,98%;4-Chlorobenzoylacetonitrile97%;4-CHLOROBENZOYLACETONITRILE98.5%;β-Oxo-4-chlorobenzenepropanenitrile
Categories:
Organic Chemistry > Coordination Complexes

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Description

Light Yellow Needles

4-CHLOROBENZOYLACETONITRILE Basic Attributes

Molecular Weight：

179.603

Exact Mass：

179.013794

DSSTox ID：

DTXSID40196835

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

1.6

Appearance：

Light Yellow Needles

Density：

1.3±0.1 g/cm3

Melting Point：

129-133 °C(lit.)

Boiling Point：

349.3ºC at 760 mmHg

Flash Point：

165.1±22.3 °C

Refractive Index：

1.553

Safety Information

Packing level：

III

Transport codes：

3276

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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.

Computed Properties

Molecular Weight:179.60
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:179.0137915
Monoisotopic Mass:179.0137915
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-CHLOROBENZOYLACETONITRILE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
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4-CHLOROBENZOYLACETONITRILE

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