1,3-Diisocyanatobenzene

C₈H₄N₂O₂CAS 123-61-5160.13 g/mol

Open in Covalent MOL file

Isocyanate

Properties

Molecular formula: C₈H₄N₂O₂
Molar mass: 160.13 g/mol
Exact mass: 160.0273 Da
Melting point: 51 °C
Boiling point: 102–104 °C (at 8 Torr)
logP: 1.62Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed10.9% of notifiers
H302 Harmful if swallowed89.1% of notifiers
H312 Harmful in contact with skin89.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled89.1% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501