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2-Phenoxy-3-pyridinecarbonitrile

2-Phenoxy-3-pyridinecarbonitrile structure

CAS No:
14178-15-5
Formula:
C12H8N2O
Chemical Name:
2-Phenoxy-3-pyridinecarbonitrile
Synonyms:
3-Pyridinecarbonitrile,2-phenoxy-;Nicotinonitrile,2-phenoxy-;2-Phenoxy-3-pyridinecarbonitrile;2-Phenoxynicotinonitrile;2-Phenoxy-3-cyanopyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Phenoxy-3-pyridinecarbonitrile Basic Attributes

Molecular Weight：

196.2

Exact Mass：

196.20

BRN：

394821

EC Number：

238-035-0

UNII：

KNM66JH5X7

DSSTox ID：

DTXSID80161820

HScode：

2933399090

Characteristics

PSA：

45.9

XLogP3：

2.74558

Density：

1.23±0.1 g/cm3(Predicted)

Melting Point：

109-110 °C

Boiling Point：

329.2±27.0 °C(Predicted)

Flash Point：

152.9ºC

Refractive Index：

1.613

Water Solubility：

25.3 [ug/mL]

Vapor Pressure：

0.000181mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

3439

hazard class code：

20/21/22-22

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:196.20
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:196.063662883
Monoisotopic Mass:196.063662883
Topological Polar Surface Area:45.9
Heavy Atom Count:15
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Phenoxy-3-pyridinecarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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2-Phenoxy-3-pyridinecarbonitrile

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