3-Chloropropyl isocyanate
Properties
- Molecular formula
- C4H6ClNO
- Molar mass
- 119.55 g/mol
- Exact mass
- 119.0138 Da
- logP
- 0.95Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed13% of notifiers
- H302 Harmful if swallowed87% of notifiers
- H312 Harmful in contact with skin87% of notifiers
- H315 Causes skin irritation13% of notifiers
- H319 Causes serious eye irritation91.3% of notifiers
- H330 Fatal if inhaled10.9% of notifiers
- H332 Harmful if inhaled87% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled13% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
13010-19-0SMILES
C(CN=C=O)CClInChIKey
RQAVSDINDRNIKL-UHFFFAOYSA-NInChI
InChI=1S/C4H6ClNO/c5-2-1-3-6-4-7/h1-3H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Propane, 1-chloro-3-isocyanato-
Work with 3-Chloropropyl isocyanate
Similar compounds
2-Chloroethyl isocyanate1943-83-571 % similar
Tetramethylene diisocyanate4538-37-865 % similar
Hexamethylene diisocyanate822-06-062 % similar
Butyl isocyanate111-36-452 % similar
Pentyl isocyanate3954-13-050 % similar
Octadecyl isocyanate112-96-948 % similar
Undecyl isocyanate2411-58-748 % similar
Hexyl isocyanate2525-62-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.