4-Bromo-3-(trifluoromethyl)-1H-pyrazole

C₄H₂BrF₃N₂CAS 19968-17-3214.97 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₄H₂BrF₃N₂
Molar mass: 214.97 g/mol
Exact mass: 213.9353 Da
Melting point: 108 °C
logP: 2.19Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% 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+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

19968-17-3

SMILES

FC(F)(F)c1n[nH]cc1Br

InChIKey

JTHNMRUVJDWVMJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrF3N2/c5-2-1-9-10-3(2)4(6,7)8/h1H,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1H-Pyrazole, 4-bromo-3-(trifluoromethyl)-
Pyrazole, 4-bromo-3-(trifluoromethyl)-
4-Bromo-3-trifluoromethyl-1H-pyrazole
4-Bromo-5-trifluoromethyl-1H-pyrazole

Work with 4-Bromo-3-(trifluoromethyl)-1H-pyrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-6-trifluoromethyl-pyridin-2-ylamine882500-21-244 % similar 4-Bromo-3-methyl-1H-pyrazole13808-64-543 % similar 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole497832-99-240 % similar 5-Bromo-4-trifluoromethyl-pyrimidin-2-ylamine935534-47-739 % similar 5-Bromo-4-(trifluoromethyl)pyridin-2-amine944401-56-336 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-635 % similar 7-Bromo-1H-indazole53857-58-235 % similar 3-Bromo-2-hydroxy-5-(trifluoromethyl)pyridine76041-73-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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