1,4-Difluoro-2-isocyanatobenzene
Properties
- Molecular formula
- C7H3F2NO
- Molar mass
- 155.10 g/mol
- Exact mass
- 155.0183 Da
- Boiling point
- 52–54 °C (at 14 Torr)
- logP
- 1.93Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor100% 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 irritation97.8% of notifiers
- H330 Fatal if inhaled10.9% of notifiers
- H332 Harmful if inhaled89.1% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled13% 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
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+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
39718-32-6SMILES
O=C=Nc1cc(F)ccc1FInChIKey
SNHIIFOXCRYGGY-UHFFFAOYSA-NInChI
InChI=1S/C7H3F2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 1,4-difluoro-2-isocyanato-
- 2,5-Difluorophenyl isocyanate
Work with 1,4-Difluoro-2-isocyanatobenzene
Similar compounds
2-Fluoro-5-methylphenyl isocyanate190774-50-664 % similar
5-Fluoro-o-tolyl isocyanate67191-93-964 % similar
2,5-Difluorophenyl isothiocyanate206559-57-163 % similar
2-Fluoro-5-(trifluoromethyl)phenyl isocyanate69922-27-660 % similar
2-Fluorophenyl isocyanate16744-98-258 % similar
2-Fluoro-5-nitrophenyl isocyanate68622-14-055 % similar
3-Fluorophenyl isocyanate404-71-753 % similar
4-Fluorophenyl isocyanate1195-45-552 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.