2,3-Dichlorophenyl isocyanate
Properties
- Molecular formula
- C7H3Cl2NO
- Molar mass
- 188.01 g/mol
- Exact mass
- 186.9592 Da
- logP
- 2.96Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed93.8% of notifiers
- H311 Toxic in contact with skin87.5% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled10.4% of notifiers
- H331 Toxic if inhaled87.5% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled12.5% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
41195-90-8SMILES
O=C=Nc1cccc(Cl)c1ClInChIKey
FYWJWWMKCARWQG-UHFFFAOYSA-NInChI
InChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 1,2-dichloro-3-isocyanato-
- 1,2-Dichloro-3-isocyanatobenzene
Work with 2,3-Dichlorophenyl isocyanate
Similar compounds
2-Chlorophenyl isocyanate3320-83-071 % similar
3-Chloro-2-methylphenyl isocyanate40397-90-863 % similar
2,3-Dichlorophenyl isothiocyanate6590-97-261 % similar
1,5-Naphthalene diisocyanate3173-72-655 % similar
Toluene 2,6-diisocyanate91-08-752 % similar
2-Chloro-6-methylphenyl isocyanate40398-01-449 % similar
1-Naphthyl isocyanate86-84-048 % similar
1,3-Diisocyanatobenzene123-61-548 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.