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2-Quinolinecarbonitrile

2-Quinolinecarbonitrile structure

CAS No:
1436-43-7
Formula:
C10H6N2
Chemical Name:
2-Quinolinecarbonitrile
Synonyms:
2-Quinolinecarbonitrile;Quinaldonitrile;2-Cyanoquinoline;Quinoline-2-nitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Quinolinecarbonitrile Basic Attributes

Molecular Weight：

154.17

Exact Mass：

154.17

BRN：

115213

EC Number：

215-865-1

DSSTox ID：

DTXSID00162475

HScode：

2933499090

Characteristics

PSA：

36.7

XLogP3：

1.6

Density：

1.21

Melting Point：

95 °C

Boiling Point：

160 °C

Flash Point：

160°C/23mm

Refractive Index：

1.4820 (estimate)

Water Solubility：

Insoluble in water.

Vapor Pressure：

0.000258mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

Marks：

Xn,Xi

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 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:154.17
XLogP3:1.6
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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Quinoline-2-carbonitrile

CAS No.: 1436-43-7

Content: 99.00%

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