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5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI)

5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI) structure

CAS No:
16357-68-9
Formula:
C5H2ClN3
Chemical Name:
5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI)
Synonyms:
5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI);4-ChloropyridMine-5-carbonitrile;4-Chloro-5-pyriMidine carbonitrile;4-Chloro-5-cyanopyrimidine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI) Basic Attributes

Molecular Weight：

139.54248

Exact Mass：

138.993729

DSSTox ID：

DTXSID50520127

HScode：

2933599090

Characteristics

PSA：

49.6

XLogP3：

0.27

Density：

1.43±0.1 g/cm3(Predicted)

Boiling Point：

289.3±20.0 °C(Predicted)

Flash Point：

128.8±21.8 °C

Refractive Index：

1.568

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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:139.54
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Exact Mass:138.9937248
Monoisotopic Mass:138.9937248
Topological Polar Surface Area:49.6
Heavy Atom Count:9
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Latest News on 5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI)

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Guide of 5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI)

Basic Attributes
Characteristics
Safety Information
Computed Properties
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5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI)

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