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Methyl 2-chloro-α-cyanobenzenepropanoate

Methyl 2-chloro-α-cyanobenzenepropanoate structure

CAS No:
7346-46-5
Formula:
C11H10ClNO2
Chemical Name:
Methyl 2-chloro-α-cyanobenzenepropanoate
Synonyms:
Benzenepropanoic acid,2-chloro-α-cyano-,methyl ester;Hydrocinnamic acid,o-chloro-α-cyano-,methyl ester;Methyl 2-chloro-α-cyanobenzenepropanoate;NSC 122542;147190-05-4

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Methyl 2-chloro-α-cyanobenzenepropanoate Basic Attributes

Molecular Weight：

223.65600

Exact Mass：

223.66

NSC Number：

122542

DSSTox ID：

DTXSID60298320

Characteristics

PSA：

50.09000

XLogP3：

2.19528

Density：

1.235g/cm3

Melting Point：

54-57 °C

Boiling Point：

126-127ºC0.75 mm Hg(lit.)

Flash Point：

172.3ºC

Refractive Index：

1.533

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:223.65
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:223.0400063
Monoisotopic Mass:223.0400063
Topological Polar Surface Area:50.1
Heavy Atom Count:15
Complexity:271
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl 2-chloro-α-cyanobenzenepropanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Methyl 2-chloro-α-cyanobenzenepropanoate

SDS

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