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2-(Acetyloxy)-2-propenenitrile

2-(Acetyloxy)-2-propenenitrile structure

CAS No:
3061-65-2
Formula:
C5H5NO2
Chemical Name:
2-(Acetyloxy)-2-propenenitrile
Synonyms:
2-Propenenitrile,2-(acetyloxy)-;Acrylonitrile,2-hydroxy-,acetate (ester);Acrylonitrile,2-hydroxy-,acetate;2-(Acetyloxy)-2-propenenitrile;Acetic acid,1-cyanovinyl ester;α-Acetoxyacrylonitrile;2-Acetoxyacrylonitrile;α-Cyanovinyl acetate;1-Cyanovinyl acetate;2-Acetoxypropenenitrile;1-Cyanoethenyl acetate;99848-10-9
Categories:
Organic Chemistry > Nitro Compounds

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2-(Acetyloxy)-2-propenenitrile Basic Attributes

Molecular Weight：

111.1

Exact Mass：

111.10

EC Number：

221-303-6

NSC Number：

512313

DSSTox ID：

DTXSID40184676

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

0.58678

Density：

1.063 g/cm³ @ Temp: 20 °C

Boiling Point：

104-107 °C @ Press: 100 Torr

Flash Point：

147 °F

Refractive Index：

n20/D 1.426(lit.)

Storage Conditions：

Refrigerator

Vapor Pressure：

30 mm Hg ( 80 °C)

Toxicity：

Oral-Rat LD50: 100 mg/kg

Flammability characteristics：

Flammable; decomposes by heating to release toxic nitrogen oxides and cyanide fumes

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 3276 6.1/PG 2

wgk germany：

hazard class code：

23/24/25-41-37/38

safety instructions：

36/37/39-45-26

RTECS Number：

AG4550000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P261-P280-P301 + P310-P302 + P350-P305 + P351 + P338-P310

Hazard Statements：

H301 + H331-H310-H315-H318

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P262, P264, P270, P271, P280, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P310, P311, P321, P322, P330, P332+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

1-cyanovinyl acetate

Computed Properties

Molecular Weight:111.10
XLogP3:0.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:111.032028402
Monoisotopic Mass:111.032028402
Topological Polar Surface Area:50.1
Heavy Atom Count:8
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Acetyloxy)-2-propenenitrile

Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Computed Properties
Latest News
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2-(Acetyloxy)-2-propenenitrile

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