Cyclohexyl isocyanate

C7H11NOCAS 3173-53-3125.17 g/mol

ON
Isocyanate

Properties

Molecular formula
C7H11NO
Molar mass
125.17 g/mol
Exact mass
125.0841 Da
Density
0.98 g/mL
Melting point
−80 °C
Boiling point
168 °C
Flash point
48 °C (closed cup)
logP
1.65Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 97 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, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
3173-53-3
SMILES
O=C=NC1CCCCC1
InChIKey
KQWGXHWJMSMDJJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2

Weigh it out

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

Names and synonyms

5 names
  • Cyclohexane, isocyanato-
  • Isocyanic acid, cyclohexyl ester
  • Isocyanatocyclohexane
  • NSC 87419
  • Cyclohexane isocyanate

Work with Cyclohexyl isocyanate

Similar compounds

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

Same formula

Elsewhere