5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole
Properties
- Molecular formula
- C9H4F6N4
- Molar mass
- 282.15 g/mol
- Exact mass
- 282.0340 Da
- logP
- 2.90Crippen estimate
- Polar surface area
- 54.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic 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 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
175205-09-1SMILES
FC(F)(F)c1cc(-c2nn[nH]n2)cc(C(F)(F)F)c1InChIKey
KKJFZIQEWZVVIV-UHFFFAOYSA-NInChI
InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole
- 2H-Tetrazole, 5-[3,5-bis(trifluoromethyl)phenyl]-
- 1H-Tetrazole, 5-[3,5-bis(trifluoromethyl)phenyl]-
Work with 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole
Similar compounds
5-[3-(Trifluoromethyl)phenyl]-1H-tetrazole92712-48-671 % similar
5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole2251-79-869 % similar
5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-450 % similar
5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione175276-77-446 % similar
5-(3-Fluorophenyl)-2H-1,2,3,4-tetrazole50907-20-546 % similar
5-(4-Fluorophenyl)-1H-tetrazole50907-21-646 % similar
5-Phenyltetrazole18039-42-445 % similar
1,3,5-Tris(trifluoromethyl)benzene729-81-744 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.