4-Isothiocyanato-1,2-dimethoxybenzene
Properties
- Molecular formula
- C9H9NO2S
- Molar mass
- 195.24 g/mol
- Exact mass
- 195.0354 Da
- logP
- 2.44Crippen estimate
- Polar surface area
- 30.8 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed33.3% of notifiers
- H302 Harmful if swallowed66.7% of notifiers
- H311 Toxic in contact with skin16.7% 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
33904-04-0SMILES
COc1ccc(N=C=S)cc1OCInChIKey
LHPZZVZPOZPDDB-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO2S/c1-11-8-4-3-7(10-6-13)5-9(8)12-2/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 4-isothiocyanato-1,2-dimethoxy-
- 3,4-Dimethoxyphenyl isothiocyanate
Work with 4-Isothiocyanato-1,2-dimethoxybenzene
Similar compounds
3,4,5-Trimethoxyphenyl isothiocyanate35967-24-966 % similar
4-Methoxyphenyl isothiocyanate2284-20-059 % similar
3,4-Methylenedioxyphenyl isothiocyanate113504-93-159 % similar
1-Isothiocyanato-3-methoxybenzene3125-64-257 % similar
3,4-Dimethoxybenzyl isothiocyanate14596-50-054 % similar
2-Methoxy-5-methylphenyl isothiocyanate190774-56-254 % similar
5-Chloro-2-methoxyphenyl isothiocyanate63429-99-253 % similar
2-Methoxyphenyl isothiocyanate3288-04-851 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.