2-Isothiocyanato-1,3-bis(1-methylethyl)benzene
Properties
- Molecular formula
- C13H17NS
- Molar mass
- 219.35 g/mol
- Exact mass
- 219.1082 Da
- logP
- 4.67Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed12.5% of notifiers
- H302 Harmful if swallowed62.5% of notifiers
- H312 Harmful in contact with skin62.5% of notifiers
- H314 Causes severe skin burns and eye damage50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H318 Causes serious eye damage12.5% of notifiers
- H319 Causes serious eye irritation37.5% of notifiers
- H331 Toxic if inhaled12.5% of notifiers
- H332 Harmful if inhaled62.5% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled12.5% of notifiers
- H335 May cause respiratory irritation37.5% of notifiers
Aggregated from 8 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+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, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501
Identifiers
CAS number
25343-70-8SMILES
CC(C)c1cccc(C(C)C)c1N=C=SInChIKey
HZGOUCYIYIFQHX-UHFFFAOYSA-NInChI
InChI=1S/C13H17NS/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 2-isothiocyanato-1,3-bis(1-methylethyl)-
- Isothiocyanic acid, 2,6-diisopropylphenyl ester
- 2,6-Diisopropylphenyl isothiocyanate
- 1,3-Diisopropyl-2-isothiocyanatobenzene
- 2-Isothiocyanato-1,3-bis(propan-2-yl)benzene
- 2-Isothiocyanato-1,3-di(propan-2-yl)benzene
Work with 2-Isothiocyanato-1,3-bis(1-methylethyl)benzene
Similar compounds
Bis(2,6-diisopropylphenyl)carbodiimide2162-74-568 % similar
2-Isopropylphenyl isothiocyanate36176-31-565 % similar
2-Isocyanato-1,3-bis(1-methylethyl)benzene28178-42-961 % similar
2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene80058-93-159 % similar
2-Isothiocyanato-1,3-dimethylbenzene19241-16-852 % similar
4-Isopropylphenyl isothiocyanate89007-45-448 % similar
2,6-Dichlorophenyl isothiocyanate6590-95-048 % similar
2,6-Difluorophenyl isothiocyanate207974-17-247 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.