2-Chloroethyl isocyanate

C3H4ClNOCAS 1943-83-5105.52 g/mol

ONCl
Alkyl halideIsocyanate

Properties

Molecular formula
C3H4ClNO
Molar mass
105.52 g/mol
Exact mass
104.9981 Da
Melting point
144–145 °C
Boiling point
135 °C
logP
0.56Crippen 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 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
1943-83-5
SMILES
O=C=NCCCl
InChIKey
BCMYXYHEMGPZJN-UHFFFAOYSA-N
InChI
InChI=1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2

Weigh it out

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

Names and synonyms

6 names
  • Ethane, 1-chloro-2-isocyanato-
  • Isocyanic acid, 2-chloroethyl ester
  • Ethanol, 2-chloro-, isocyanate
  • 1-Chloro-2-isocyanatoethane
  • β-Chloroethylisocyanate
  • NSC 87418

Work with 2-Chloroethyl isocyanate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere