1-Chloro-4-isocyanato-2-nitrobenzene
Properties
- Molecular formula
- C7H3ClN2O3
- Molar mass
- 198.56 g/mol
- Exact mass
- 197.9832 Da
- logP
- 2.22Crippen estimate
- Polar surface area
- 72.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed20% of notifiers
- H302 Harmful if swallowed80% of notifiers
- H312 Harmful in contact with skin80% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction80% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled20% of notifiers
- H332 Harmful if inhaled80% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled80% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
40397-96-4SMILES
O=C=Nc1ccc(Cl)c([N+](=O)[O-])c1InChIKey
ZCPHLSPLEGBTCZ-UHFFFAOYSA-NInChI
InChI=1S/C7H3ClN2O3/c8-6-2-1-5(9-4-11)3-7(6)10(12)13/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 1-chloro-4-isocyanato-2-nitro-
- Isocyanic acid, 4-chloro-3-nitrophenyl ester
- 4-Chloro-3-nitrophenyl isocyanate
- 3-Nitro-4-chlorophenyl isocyanate
- Isocyanic Acid 4-Chloro-3-nitrophenyl Ester
Work with 1-Chloro-4-isocyanato-2-nitrobenzene
Similar compounds
1-Chloro-4-isothiocyanato-2-nitrobenzene127142-66-974 % similar
4-Isocyanato-1-methyl-2-nitrobenzene13471-69-767 % similar
N-(4-Chloro-3-nitrophenyl)acetamide5540-60-358 % similar
3,4-Dichlorophenyl isocyanate102-36-357 % similar
4-Nitrophenyl isocyanate100-28-757 % similar
1,4-Dichloro-2-nitrobenzene89-61-257 % similar
2,4-Dinitrochlorobenzene97-00-757 % similar
3-Nitrophenyl isocyanate3320-87-456 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.