Methyl 2-isothiocyanatobenzoate

C₉H₇NO₂SCAS 16024-82-1193.22 g/mol

Open in Covalent MOL file

Ester Isothiocyanate

Properties

Molecular formula: C₉H₇NO₂S
Molar mass: 193.22 g/mol
Exact mass: 193.0197 Da
Boiling point: 100–102 °C (at 0.35 Torr)
logP: 2.21Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed85.7% of notifiers
H312 Harmful in contact with skin71.4% of notifiers
H314 Causes severe skin burns and eye damage71.4% of notifiers
H315 Causes skin irritation28.6% of notifiers
H317 May cause an allergic skin reaction14.3% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H331 Toxic if inhaled71.4% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled14.3% of notifiers
H335 May cause respiratory irritation42.9% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501