Allyl isocyanate

C4H5NOCAS 1476-23-983.09 g/mol

NO
AlkeneIsocyanate

Properties

Molecular formula
C4H5NO
Molar mass
83.09 g/mol
Exact mass
83.0371 Da
Boiling point
87–89 °C
logP
0.51Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
1476-23-9
SMILES
C=CCN=C=O
InChIKey
HXBPYFMVGFDZFT-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1-Propene, 3-isocyanato-
  • Isocyanic acid, allyl ester
  • 3-Isocyanato-1-propene
  • Propene, 3-isocyanato-
  • 2-Propenyl isocyanate
  • NSC 96964

Work with Allyl isocyanate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere