4-Phenyl-1,2,4-triazolidine-3,5-dione
Properties
- Molecular formula
- C8H7N3O2
- Molar mass
- 177.16 g/mol
- Exact mass
- 177.0538 Da
- Melting point
- 202–203 °C
- logP
- 0.68Crippen estimate
- Polar surface area
- 71.2 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
15988-11-1SMILES
Oc1nnc(O)n1-c1ccccc1InChIKey
GOSUFRDROXZXLN-UHFFFAOYSA-NInChI
InChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1,2,4-Triazolidine-3,5-dione, 4-phenyl-
- Bicarbamimide, N-phenyl-
- 4-Phenylurazole
- NSC 93432
Work with 4-Phenyl-1,2,4-triazolidine-3,5-dione
Similar compounds
1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one6969-71-743 % similar
9-Phenylcarbazole1150-62-541 % similar
2,5-Dimethyl-1-phenylpyrrole83-24-941 % similar
5-Chloro-1-phenyl-1H-tetrazole14210-25-438 % similar
1-Phenyl-3-hydroxy-1,2,4-triazole4231-68-938 % similar
5,5′-Dithiobis[1-phenyl-1H-tetrazole]5117-07-738 % similar
1-Phenyl-5-mercaptotetrazole86-93-138 % similar
1-Phenylpyrrole635-90-535 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.