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ACETYLMALONONITRILE

ACETYLMALONONITRILE structure

CAS No:
1187-11-7
Formula:
C5H4N2O
Chemical Name:
ACETYLMALONONITRILE
Synonyms:
Acetylmalononitrile;Propanedinitrile, acetyl-;2-Acetylmalononitrile;2-acetylpropanedinitrile;ACMC-20alv2;Acetylmalononitrile, 98%;SCHEMBL6155982;CTK0C4387;DTXSID30392662;ZINC2582086

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ACETYLMALONONITRILE Basic Attributes

Molecular Weight：

108.1

Exact Mass：

108.03200

DSSTox ID：

DTXSID30392662

HScode：

2926909090

Characteristics

PSA：

64.6

XLogP3：

0.23876

Density：

1.133g/cm3

Melting Point：

138-141 °C(lit.)

Boiling Point：

152.7ºC at 760 mmHg

Flash Point：

46.2ºC

Refractive Index：

1.438

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312-H315-H319-H335

Computed Properties

Molecular Weight:108.10
XLogP3:-0.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:108.032362755
Monoisotopic Mass:108.032362755
Topological Polar Surface Area:64.6
Heavy Atom Count:8
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ACETYLMALONONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

ACETYLMALONONITRILE

SDS

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