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3-OXO-3-(3-PYRIDINYL)PROPANENITRILE

3-OXO-3-(3-PYRIDINYL)PROPANENITRILE structure

CAS No:
30510-18-0
Formula:
C8H6N2O
Chemical Name:
3-OXO-3-(3-PYRIDINYL)PROPANENITRILE
Synonyms:
b-oxo-3-Pyridinepropanenitrile;Beta-oxo-3-Pyridinepropanenitrile;3-Oxo-3-(3-pyridyl)propanenitrile;3-OXO-3-PYRIDIN-3-YL-PROPIONITRILE;3-Oxo-3-pyridin-3-ylpropanenitrile;3-OXO-3-(3-PYRIDINYL)PROPANENITRILE;3-oxo-3-(yridine-3-yl)propanenitrile;3-Pyridinepropanenitrile,.beta.-oxo-
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-OXO-3-(3-PYRIDINYL)PROPANENITRILE Basic Attributes

Molecular Weight：

146.15

Exact Mass：

146.048019

DSSTox ID：

DTXSID40577589

Characteristics

PSA：

53.8

XLogP3：

-0.23

Density：

1.2±0.1 g/cm3

Melting Point：

79-81°C

Boiling Point：

344.3±22.0 °C at 760 mmHg

Flash Point：

162.0±22.3 °C

Refractive Index：

1.540

Safety Information

Hazard category：

IRRITANT

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (33.33%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:146.15
XLogP3:0.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:146.048012819
Monoisotopic Mass:146.048012819
Topological Polar Surface Area:53.8
Heavy Atom Count:11
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Oxo-3-(3-pyridinyl)propanenitrile

CAS No.: 30510-18-0

Content: 99.00%

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Guide of 3-OXO-3-(3-PYRIDINYL)PROPANENITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3-OXO-3-(3-PYRIDINYL)PROPANENITRILE

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