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5-Isoquinolinecarbonitrile

5-Isoquinolinecarbonitrile structure

5-Isoquinolinecarbonitrile 

structure

5-Isoquinolinecarbonitrile Basic Attributes

154.17

154.17

DTXSID60332697

2933499090

Characteristics

36.7

1.39

1.2±0.1 g/cm3

138 °C

341.5±15.0 °C at 760 mmHg

119.8±5.6 °C

1.654

Safety Information

22

Xn

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, P501

H302

|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:154.17
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Exact Mass:154.053098200
Monoisotopic Mass:154.053098200
Topological Polar Surface Area:36.7
Heavy Atom Count:12
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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