5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole
Properties
- Molecular formula
- C8H11F3N2
- Molar mass
- 192.19 g/mol
- Exact mass
- 192.0874 Da
- logP
- 2.73Crippen estimate
- Polar surface area
- 28.7 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed50% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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
150433-22-0SMILES
CC(C)(C)C1=NNC(=C1)C(F)(F)FInChIKey
YIEPWAOKLZRBEL-UHFFFAOYSA-NInChI
InChI=1S/C8H11F3N2/c1-7(2,3)5-4-6(13-12-5)8(9,10)11/h4H,1-3H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
Work with 5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole
Similar compounds
3,5-Bis(trifluoromethyl)pyrazole14704-41-770 % similar
3-Methyl-5-(trifluoromethyl)pyrazole10010-93-245 % similar
4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine238742-83-145 % similar
7-Chloro-2-(1,1-dimethylethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine175203-38-037 % similar
3-(Trifluoromethyl)pyrazole20154-03-436 % similar
6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one174607-36-436 % similar
3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-135 % similar
2,4,6-Tri-tert-butylpyrimidine67490-21-534 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.