3,4,5-Tribromo-1H-pyrazole

C₃HBr₃N₂CAS 17635-44-8304.77 g/mol

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Aryl halide

Properties

Molecular formula: C₃HBr₃N₂
Molar mass: 304.77 g/mol
Exact mass: 301.7690 Da
logP: 2.70Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed84.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

17635-44-8

SMILES

C1(=C(NN=C1Br)Br)Br

InChIKey

TXQKCKQJBGFUBF-UHFFFAOYSA-N

InChI

InChI=1S/C3HBr3N2/c4-1-2(5)7-8-3(1)6/h(H,7,8)

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Names and synonyms

1 names

3,4,5-Tribromopyrazole

Work with 3,4,5-Tribromo-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

4,5-Dibromo-1H-1,2,3-triazole15294-81-236 % similar 3-Bromo-1H-pyrazolo[3,4-D]pyrimidine1251033-27-834 % similar 3-Bromo-1H-pyrazolo[4,3-c]pyridine633328-88-834 % similar 3-Bromo-1H-indazole40598-94-533 % similar 4-Bromo-3,5-dimethylpyrazole3398-16-131 % similar 3-Bromo-1H-pyrazolo(4,3-b)pyridine633328-33-330 % similar 3-Bromo-1H-pyrazolo(3,4-b)pyridine68618-36-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,5-Tribromoimidazole2034-22-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook