2,4-Difluorophenyl isocyanate
Properties
- Molecular formula
- C7H3F2NO
- Molar mass
- 155.10 g/mol
- Exact mass
- 155.0183 Da
- 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
- H301 Toxic if swallowed13% of notifiers
- H302 Harmful if swallowed87% of notifiers
- H312 Harmful in contact with skin87% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled87% 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
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
59025-55-7SMILES
C1=CC(=C(C=C1F)F)N=C=OInChIKey
HNENEALJPWJWJY-UHFFFAOYSA-NInChI
InChI=1S/C7H3F2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,4-Difluorophenyl isocyanate
Similar compounds
2,4-Difluoro-1-isothiocyanatobenzene141106-52-763 % similar
5-Fluoro-o-tolyl isocyanate67191-93-959 % similar
2-Fluorophenyl isocyanate16744-98-258 % similar
3-Fluorophenyl isocyanate404-71-753 % similar
4-Fluorophenyl isocyanate1195-45-552 % similar
2-Fluoro-5-methylphenyl isocyanate190774-50-650 % similar
2-Bromo-4,6-difluorophenyl isocyanate190774-48-249 % similar
2-Fluoro-5-(trifluoromethyl)phenyl isocyanate69922-27-647 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.