Propyl isocyanate

C4H7NOCAS 110-78-185.11 g/mol

NO
Isocyanate

Properties

Molecular formula
C4H7NO
Molar mass
85.11 g/mol
Exact mass
85.0528 Da
Boiling point
83.5 °C
logP
0.73Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 42 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, P272, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
110-78-1
SMILES
CCCN=C=O
InChIKey
OQURWGJAWSLGQG-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Propane, 1-isocyanato-
  • Isocyanic acid, propyl ester
  • 1-Isocyanatopropane
  • 1-Propyl isocyanate
  • n-Propyl isocyanate
  • NSC 89688

Work with Propyl isocyanate

Similar compounds

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

Same formula

Elsewhere