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AKOSBBS-00002967

AKOSBBS-00002967 structure

CAS No:
4392-85-2
Formula:
C11H7N3
Chemical Name:
AKOSBBS-00002967
Synonyms:
AKOSBBS-00002967;6-CYANO-2,2'-BIPYRIDINE;6-nitrile-2,2'-bipyridine;6-Carbonitrile-2,2'-bipyridine;[2,2'-Bipyridine]-6-carbonitrile
Categories:
Pharmaceutical Intermediates > Analgesics

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AKOSBBS-00002967 Basic Attributes

Molecular Weight：

181.19

Exact Mass：

181.063995

DSSTox ID：

DTXSID40454982

HScode：

2933399090

Characteristics

PSA：

49.57000

XLogP3：

1.71

Density：

1.2±0.1 g/cm3

Melting Point：

130-131℃

Boiling Point：

362.0±32.0℃ (760 Torr)

Flash Point：

124.7±10.3℃

Refractive Index：

1.625

Safety Information

Precautionary statement(s)：

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, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:181.19
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:181.063997236
Monoisotopic Mass:181.063997236
Topological Polar Surface Area:49.6
Heavy Atom Count:14
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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