2-Hydrazino-4-(trifluoromethyl)pyrimidine

C₅H₅F₃N₄CAS 197305-97-8178.12 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Secondary amine

Properties

Molecular formula: C₅H₅F₃N₄
Molar mass: 178.12 g/mol
Exact mass: 178.0466 Da
logP: 0.78Crippen estimate
Polar surface area: 63.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H311 Toxic in contact with skin97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

197305-97-8

SMILES

C1=CN=C(N=C1C(F)(F)F)NN

InChIKey

XQCAINVUBSAUBJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H5F3N4/c6-5(7,8)3-1-2-10-4(11-3)12-9/h1-2H,9H2,(H,10,11,12)

Weigh it out

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

Work with 2-Hydrazino-4-(trifluoromethyl)pyrimidine

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

2-Amino-4-(trifluoromethyl)pyrimidine16075-42-656 % similar 2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-253 % similar 2-Bromo-4-(trifluoro methyl)pryrimidine785777-87-952 % similar 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine179756-91-345 % similar 2,6-Bis(trifluoromethyl)pyridine455-00-543 % similar 4-Amino-2-trifluoromethylpyridine147149-98-243 % similar 1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane238403-48-041 % similar 2-Hydrazinyl-3-(trifluoromethyl)pyridine89570-83-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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