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Propanenitrile, 2-oxo-

Propanenitrile, 2-oxo- structure

CAS No:
631-57-2
Formula:
C3H3NO
Chemical Name:
Propanenitrile, 2-oxo-
Synonyms:
Propanenitrile,2-oxo-;Pyruvonitrile;Acetyl cyanide;Pyruvic acid nitrile;α-Oxopropionitrile;2-Oxopropionitrile;2-Oxopropanenitrile;NSC 91482
Categories:
Pharmaceutical Intermediates > Sleep Disorder Agents

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Propanenitrile, 2-oxo- Basic Attributes

Molecular Weight：

69.062

Exact Mass：

69.06

EC Number：

211-159-2

UNII：

ULO441649V

NSC Number：

91482

DSSTox ID：

DTXSID10212430

Characteristics

PSA：

40.86000

XLogP3：

-0.71

Density：

0.9754 g/cm³ @ Temp: 20 °C

Boiling Point：

92.3 °C

Flash Point：

14.4±0.0 °C

Refractive Index：

1.380

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 3273 3/PG 2

wgk germany：

hazard class code：

11-23/25-51/53-37/38

safety instructions：

45-61-36/37

Marks：

F,T,N

Precautionary statement(s)：

P210-P261-P273-P301 + P310 + P330-P304 + P340 + P312-P403 + P233

Hazard Statements：

H225-H301 + H331-H315-H335-H412

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P330, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:69.06
XLogP3:-0.1
Hydrogen Bond Acceptor Count:2
Exact Mass:69.021463719
Monoisotopic Mass:69.021463719
Topological Polar Surface Area:40.9
Heavy Atom Count:5
Complexity:86.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes