3-Isothiocyanatobenzoic acid

C₈H₅NO₂SCAS 2131-63-7179.19 g/mol

Open in Covalent MOL file

Carboxylic acid Isothiocyanate

Properties

Molecular formula: C₈H₅NO₂S
Molar mass: 179.19 g/mol
Exact mass: 179.0041 Da
Melting point: 165 °C
logP: 2.12Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed85.7% of notifiers
H312 Harmful in contact with skin85.7% of notifiers
H314 Causes severe skin burns and eye damage57.1% of notifiers
H315 Causes skin irritation14.3% of notifiers
H318 Causes serious eye damage28.6% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H332 Harmful if inhaled85.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled28.6% of notifiers
H335 May cause respiratory irritation14.3% 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, 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, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501