2-Biphenyl isocyanate
Properties
- Molecular formula
- C13H9NO
- Molar mass
- 195.22 g/mol
- Exact mass
- 195.0684 Da
- Melting point
- 56 °C
- Boiling point
- 100 °C (at NaN Torr)
- logP
- 3.32Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed95.2% of notifiers
- H312 Harmful in contact with skin95.2% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled95.2% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
17337-13-2SMILES
O=C=Nc1ccccc1-c1ccccc1InChIKey
IHHUGFJSEJSCGE-UHFFFAOYSA-NInChI
InChI=1S/C13H9NO/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
9 names
- 1,1′-Biphenyl, 2-isocyanato-
- Isocyanic acid, 2-biphenylyl ester
- 2-Isocyanato-1,1′-biphenyl
- o-Biphenylyl isocyanate
- 2-Isocyanatobiphenyl
- 2-Biphenylyl isocyanate
- 2-Phenylphenyl isocyanate
- NSC 8076
- 1-Isocyanato-2-phenylbenzene
Work with 2-Biphenyl isocyanate
Similar compounds
2-Biphenyl isothiocyanate19394-61-760 % similar
Phenyl isocyanate103-71-956 % similar
2-Bromophenyl isocyanate1592-00-353 % similar
1,5-Naphthalene diisocyanate3173-72-652 % similar
1-Iodo-2-isocyanatobenzene128255-31-252 % similar
2-Fluorophenyl isocyanate16744-98-252 % similar
2-Chlorophenyl isocyanate3320-83-052 % similar
2-Methylphenyl isocyanate614-68-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds