5-Chloro-2-methoxyphenyl isothiocyanate
Properties
- Molecular formula
- C8H6ClNOS
- Molar mass
- 199.65 g/mol
- Exact mass
- 198.9859 Da
- logP
- 3.08Crippen estimate
- Polar surface area
- 21.6 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed33.3% of notifiers
- H302 Harmful if swallowed66.7% of notifiers
- H311 Toxic in contact with skin33.3% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H314 Causes severe skin burns and eye damage83.3% of notifiers
- H315 Causes skin irritation16.7% of notifiers
- H319 Causes serious eye irritation16.7% of notifiers
- H331 Toxic if inhaled33.3% of notifiers
- H332 Harmful if inhaled66.7% of notifiers
- H335 May cause respiratory irritation16.7% of notifiers
Aggregated from 6 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, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
63429-99-2SMILES
COC1=C(C=C(C=C1)Cl)N=C=SInChIKey
WGLDKQQXEWPFAR-UHFFFAOYSA-NInChI
InChI=1S/C8H6ClNOS/c1-11-8-3-2-6(9)4-7(8)10-5-12/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-Chloro-2-isothiocyanato-1-methoxy-benzene
Work with 5-Chloro-2-methoxyphenyl isothiocyanate
Similar compounds
4-Chloro-2-isocyanato-1-methoxybenzene55440-54-568 % similar
2,5-Dimethoxyphenyl isothiocyanate40532-06-767 % similar
2-Methoxy-5-methylphenyl isothiocyanate190774-56-265 % similar
3-Isothiocyanato-4-methoxy-1,1'-biphenyl206761-68-460 % similar
4-Chloro-2-isothiocyanato-1-methylbenzene19241-36-259 % similar
2-Methoxyphenyl isothiocyanate3288-04-858 % similar
2,5-Dichlorophenyl isothiocyanate3386-42-358 % similar
4-Chloro-1-isothiocyanato-2-methylbenzene23165-53-955 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.