Pentyl isocyanate
Properties
- Molecular formula
- C6H11NO
- Molar mass
- 113.16 g/mol
- Exact mass
- 113.0841 Da
- logP
- 1.51Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed97.7% of notifiers
- H312 Harmful in contact with skin90.9% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage90.9% of notifiers
- H332 Harmful if inhaled90.9% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled13.6% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 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+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
3954-13-0SMILES
CCCCCN=C=OInChIKey
VRVUKQWNRPNACD-UHFFFAOYSA-NInChI
InChI=1S/C6H11NO/c1-2-3-4-5-7-6-8/h2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Pentane, 1-isocyanato-
Work with Pentyl isocyanate
Similar compounds
Octadecyl isocyanate112-96-995 % similar
Undecyl isocyanate2411-58-795 % similar
Hexyl isocyanate2525-62-495 % similar
Octyl isocyanate3158-26-795 % similar
Dodecyl isocyanate4202-38-495 % similar
N-Heptyl isocyanate4747-81-395 % similar
Butyl isocyanate111-36-486 % similar
Tetramethylene diisocyanate4538-37-870 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.