1-Chloro-4-isothiocyanato-2-nitrobenzene
Properties
- Molecular formula
- C7H3ClN2O2S
- Molar mass
- 214.62 g/mol
- Exact mass
- 213.9604 Da
- logP
- 2.98Crippen estimate
- Polar surface area
- 55.5 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed20% of notifiers
- H302 Harmful if swallowed80% of notifiers
- H311 Toxic in contact with skin20% of notifiers
- H312 Harmful in contact with skin80% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H319 Causes serious eye irritation20% of notifiers
- H331 Toxic if inhaled20% of notifiers
- H332 Harmful if inhaled80% of notifiers
- H335 May cause respiratory irritation20% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
127142-66-9SMILES
O=[N+]([O-])c1cc(N=C=S)ccc1ClInChIKey
ZXGZBHIDSJXKLE-UHFFFAOYSA-NInChI
InChI=1S/C7H3ClN2O2S/c8-6-2-1-5(9-4-13)3-7(6)10(11)12/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 1-chloro-4-isothiocyanato-2-nitro-
- 4-Chloro-3-nitrophenyl isothiocyanate
Work with 1-Chloro-4-isothiocyanato-2-nitrobenzene
Similar compounds
1-Chloro-4-isocyanato-2-nitrobenzene40397-96-474 % similar
3-Nitrophenyl isothiocyanate3529-82-659 % similar
1,2-Dichloro-4-isothiocyanatobenzene6590-94-957 % similar
4-Nitrophenyl isothiocyanate2131-61-556 % similar
N-(4-Chloro-3-nitrophenyl)acetamide5540-60-356 % similar
1,4-Dichloro-2-nitrobenzene89-61-254 % similar
2,4-Dinitrochlorobenzene97-00-754 % similar
1-Chloro-4-fluoro-2-nitrobenzene345-17-553 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.