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2-Chloro-5-cyanobenzoicacid

2-Chloro-5-cyanobenzoicacid structure

CAS No:
89891-83-8
Formula:
C8H4ClNO2
Chemical Name:
2-Chloro-5-cyanobenzoicacid
Synonyms:
2-Chloro-5-cyanobenzoic acid;2-chloro-5-cyano-benzoic acid 97%;Benzoic acid, 2-chloro-5-cyano-

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2-Chloro-5-cyanobenzoicacid Basic Attributes

Molecular Weight：

181.58

Exact Mass：

180.9930561

DSSTox ID：

DTXSID20557344

HScode：

2926909090

Characteristics

PSA：

61.09000

XLogP3：

1.90988

Density：

1.48±0.1 g/cm3

Melting Point：

178 °C

Boiling Point：

334.7±27.0 °C(Predicted)

PKA：

2.31±0.25

Safety Information

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

Computed Properties

Molecular Weight:181.57
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:180.9930561
Monoisotopic Mass:180.9930561
Topological Polar Surface Area:61.1
Heavy Atom Count:12
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Chloro-5-cyanobenzoicacid Methyl ester

914106-36-8

Hot Searches: ethoxide; brentag; dapoxetine; clopidogrel bisulfate; sulfur trioxide compound; bro2

Guide of 2-Chloro-5-cyanobenzoicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties
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