2-Biphenyl isothiocyanate
Properties
- Molecular formula
- C13H9NS
- Molar mass
- 211.28 g/mol
- Exact mass
- 211.0456 Da
- logP
- 4.09Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed66.7% of notifiers
- H314 Causes severe skin burns and eye damage66.7% of notifiers
- H315 Causes skin irritation33.3% of notifiers
- H317 May cause an allergic skin reaction66.7% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled66.7% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 3 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+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501
Identifiers
CAS number
19394-61-7SMILES
C1=CC=C(C=C1)C2=CC=CC=C2N=C=SInChIKey
OAYSYSIGKCDBKZ-UHFFFAOYSA-NInChI
InChI=1S/C13H9NS/c15-10-14-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1-Isothiocyanato-2-phenylbenzene
Work with 2-Biphenyl isothiocyanate
Similar compounds
2-Biphenyl isocyanate17337-13-260 % similar
Phenyl isothiocyanate103-72-056 % similar
1-Bromo-2-isothiocyanatobenzene13037-60-053 % similar
2-Chlorophenyl isothiocyanate2740-81-052 % similar
2-Fluorophenyl isothiocyanate38985-64-752 % similar
2-Methylphenyl isothiocyanate614-69-752 % similar
2-Iodophenyl isothiocyanate98041-44-252 % similar
1-Naphthyl isothiocyanate551-06-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.