Vinyl isocyanate

HCID 77094

Notes Reactions

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Basic information

CAS: 3555-94-0
Standard SMILES: C=CN=C=O
InChIKey: WARQUFORVQESFF-UHFFFAOYSA-N
Molecular formula: C3H3NO
Average molar mass: 69.06 g/mol
Monoisotopic mass: 69.02146372

Names & identifiers

Preferred name: Vinyl isocyanate
IUPAC: isocyanatoethene
English name: VINYL ISOCYANATE 97
Molecular formula: C3H3NO
Molecular weight: 69.06

Names & synonyms

Vinyl isocyanate3555-94-0EINECS 222-616-0DTXSID40189040RefChem:194322DTXCID70111531222-616-0IsocyanatoetheneVINYL ISOCYANATE 97CH2=CHNCOEthene, isocyanato-Vinyl isocyanate, 95%

Show more names

Ethenyl isocyanateVINYL ISOCYANATE 97Ethene, isocyanato- (9CI)

SCHEMBL218928NS00029875EN300-141417

Database identifiers

CAS: 3555-94-0
PubChem CID: 77094
DTXSID: DTXSID40189040
EC Number: 222-616-0
Nikkaji: J216.198B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 71

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Boiling point: 39 · 39-40 °C(lit.)
Density: 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4190(lit.)
Flash point: 40 °F · 40 °F
storage temp.: 2 · 2-8°C
Symbol(GHS): 8 · GHS08,GHS02,GHS05,GHS06
Signal word: Danger
Hazard statements: 315 · H315-H335-H334-H225-H312-H318-H317-H301-H330
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310-P261-P285-P304+P341-P342+P311-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P270-P301+P310-P321-P330-P405-P501
Hazard Codes: F,T
Risk Statements: 11 · 11-20/21-25-37/38-41-42-43-42/43
Safety Statements: 16 · 16-26-36/37/39-45
RIDADR: 3383 · UN 3383 6.1/PG 1
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

wgk: 3
ridadr: UN 3383 6.1/PG 1
risk_code: 11-20/21-25-37/38-41-42-43-42/43
Signal word: Danger
Symbol(GHS): GHS08,GHS02,GHS05,GHS06
hazard_code: F,T
safety_code: 16-26-36/37/39-45
Hazard statements: H315-H335-H334-H225-H312-H318-H317-H301-H330
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310-P261-P285-P304+P341-P342+P311-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P270-P301+P310-P321-P330-P405-P501