Allyl isothiocyanate

C₄H₅NSCAS 57-06-799.15 g/mol

Open in Covalent MOL file

Alkene Isothiocyanate

Properties

Molecular formula: C₄H₅NS
Molar mass: 99.15 g/mol
Exact mass: 99.0143 Da
Density: 1.013–1.02 g/mL
Melting point: −80 °C
Boiling point: 148–154 °C
Flash point: 46 °C (closed cup)
Water solubility: 2 g/L (20 °C)
logP: 1.28Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor98.6% of notifiers
H301 Toxic if swallowed97.4% of notifiers
H310 Fatal in contact with skin97.2% of notifiers
H315 Causes skin irritation95% of notifiers
H319 Causes serious eye irritation97.1% of notifiers
H330 Fatal if inhaled95.4% of notifiers
H400 Very toxic to aquatic life99.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects99.3% of notifiers

Aggregated from 1,488 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501