1-Cyanovinyl acetate

HCID 18291

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Basic information

CAS: 3061-65-2
Standard SMILES: C=C(C#N)OC(C)=O
InChIKey: LFSHREXVLSTLFB-UHFFFAOYSA-N
Molecular formula: C5H5NO2
Average molar mass: 111.1 g/mol
Monoisotopic mass: 111.0320284

Overview

structure in first source

Names & identifiers

Preferred name: 1-Cyanovinyl acetate
IUPAC: 1-cyanoethenyl acetate
English name: 1-Acetoxy-1-cyanoethylene
Molecular formula: C5H5NO2
Molecular weight: 111.1

Names & synonyms

1-Cyanovinyl acetateRefChem:431560221-303-63061-65-21-Acetoxy-1-cyanoethylene2-Propenenitrile, 2-(acetyloxy)-2-Acetoxyacrylonitrile1-cyanoethenyl acetatealpha-Acetoxyacrylonitrile1-Cyanovinyl Acetate (stabilized with TBC)MFCD00001868ACETIC ACID, 1-CYANOVINYL ESTER

Show more names

2-HYDROXYACRYLONITRILEα-acetoxyacrylonitrileα-Acetoxyacrylonitrilealpha-cyanovinylacetate1-cyanoethenyl ethanoate

alpha-Cyanovinyl acetate1-cyanoeth-1-en-1-yl acetate2-(Acetyloxy)-2-propenenitrileAcrylonitrile, 2-hydroxy-, acetateEINECS 221-303-62-Hydroxyacrylonitrile acetate (ester)BRN 17511581-Kyanvinylester kyseliny octove [Czech]

Database identifiers

CAS: 3061-65-2
PubChem CID: 18291
DTXSID: DTXSID40184676
EC Number: 221-303-6
Nikkaji: J54.194J

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 80 · 80-82 °C30 mm Hg(lit.)
Density: 1.061 g/mL · 1.061 g/mL at 20 °C(lit.)
vapor pressure: 30 mm · 30 mm Hg ( 80 °C)
refractive index: 20 · n20/D 1.426(lit.)
Flash point: 147 °F · 147 °F
storage temp.: 2 · Sealed in dry,2-8°C
solubility: sol most organic solvents other than pure hydrocarbons.
form: clear liquid
color: Colorless to Light yellow
BRN: 1751158 · 1751158
CAS DataBase Reference: 3061 · 3061-65-2(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 227 · H227-H301-H301+H331-H310-H315-H318
Precautionary statements: 261 · P261-P280-P301+P310-P302+P350-P305+P351+P338-P310-P210-P262-P264-P270-P301+P310+P330-P302+P352+P310+P361+P364-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501
Hazard Codes: T
Risk Statements: 23 · 23/24/25-41-37/38
Safety Statements: 36 · 36/37/39-45-26
RIDADR: 3276 · UN 3276 6.1/PG 2
WGK Germany: 3 · 3
RTECS: 4550000 · AG4550000
HS Code: 2926.9 · 2926.90.5050
HazardClass: 6.1 · 6.1(a)
PackingGroup: II
Toxicity: 10 mg/24H · skn-rbt 10 mg/24H open MLD AIHAAP 23,95,62

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2-Propenenitrile, 2-(acetyloxy)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk: 3
rtecs: AG4550000
ridadr: UN 3276 6.1/PG 2
hs_code: 2926.90.5050
Toxicity: skn-rbt 10 mg/24H open MLD AIHAAP 23,95,62
risk_code: 23/24/25-41-37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 36/37/39-45-26
hazard_class: 6.1(a)
packing_group: II
Hazard statements: H227-H301-H301+H331-H310-H315-H318
Precautionary statements: P261-P280-P301+P310-P302+P350-P305+P351+P338-P310-P210-P262-P264-P270-P301+P310+P330-P302+P352+P310+P361+P364-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501