4-Chloro-2-isocyanato-1-methoxybenzene
Properties
- Molecular formula
- C8H6ClNO2
- Molar mass
- 183.59 g/mol
- Exact mass
- 183.0087 Da
- logP
- 2.32Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed93.5% of notifiers
- H312 Harmful in contact with skin84.8% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H332 Harmful if inhaled93.5% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled10.9% of notifiers
- H335 May cause respiratory irritation97.8% 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+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
Identifiers
CAS number
55440-54-5SMILES
COc1ccc(Cl)cc1N=C=OInChIKey
CDRZZFCLBUGMMB-UHFFFAOYSA-NInChI
InChI=1S/C8H6ClNO2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzene, 4-chloro-2-isocyanato-1-methoxy-
- 5-Chloro-2-methoxyphenyl isocyanate
- 2-Methoxy-5-chlorophenyl isocyanate
Work with 4-Chloro-2-isocyanato-1-methoxybenzene
Similar compounds
5-Chloro-2-methoxyphenyl isothiocyanate63429-99-268 % similar
2-Isocyanato-1-methoxy-4-methylbenzene59741-04-765 % similar
5-Chloro-2-methylphenyl isocyanate40411-27-659 % similar
2,5-Dichlorophenyl isocyanate5392-82-558 % similar
2-Methoxyphenyl isocyanate700-87-858 % similar
2,4-Dichlorophenyl isocyanate2612-57-954 % similar
2,4-Dimethoxyphenyl isocyanate84370-87-654 % similar
2,4-Dichloro-3-isocyanato-1,5-dimethoxybenzene872511-32-551 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.