Isopropyl isocyanate

C4H7NOCAS 1795-48-885.11 g/mol

NO
Isocyanate

Properties

Molecular formula
C4H7NO
Molar mass
85.11 g/mol
Exact mass
85.0528 Da
Melting point
216–217 °C
Boiling point
74.5 °C
logP
0.73Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

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

Aggregated from 198 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P223, P231+P232, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P335+P334, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P402+P404, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
1795-48-8
SMILES
CC(C)N=C=O
InChIKey
GSLTVFIVJMCNBH-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Propane, 2-isocyanato-
  • Isocyanic acid, isopropyl ester
  • 2-Isocyanatopropane
  • 1-Methylethyl isocyanate
  • n-Isopropyl isocyanate
  • Propan-2-yl isocyanate
  • Methyl ethyl isocyanate

Work with Isopropyl isocyanate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere