p-(Trifluoromethyl)benzoylhydrazine

C8H7F3N2OCAS 339-59-3204.15 g/mol

Open in Covalent MOL file
H2NNHOFFF
Alkyl halideAmidePrimary amine

Properties

Molecular formula
C8H7F3N2O
Molar mass
204.15 g/mol
Exact mass
204.0510 Da
Melting point
120–121 °C
logP
1.31Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
339-59-3
SMILES
NNC(=O)c1ccc(C(F)(F)F)cc1
InChIKey
GKBDXTNCBPZMFX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(14)13-12/h1-4H,12H2,(H,13,14)

Weigh it out

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

Names and synonyms

8 names
  • Benzoic acid, 4-(trifluoromethyl)-, hydrazide
  • p-Toluic acid, α,α,α-trifluoro-, hydrazide
  • 4-(Trifluoromethyl)benzohydrazide
  • p-Trifluoromethylbenzoyl hydrazide
  • p-Trifluoromethylbenzoic acid hydrazide
  • 4-Trifluoromethylbenzoic acid hydrazide
  • 4-Trifluoromethylbenzhydrazide
  • 4-(Trifluoromethyl)benzoic hydrazide

Work with p-(Trifluoromethyl)benzoylhydrazine

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

Terephthalic dihydrazide136-64-167 % similar 4-tert-Butylbenzohydrazide43100-38-564 % similar 4-Fluorobenzoic acid hydrazide456-06-459 % similar 4-(Trifluoromethoxy)benzoic acid hydrazide175277-18-658 % similar 4-(Trifluoromethyl)benzamide1891-90-358 % similar 4-Aminobenzoic acid hydrazide5351-17-756 % similar 4-Methylbenzohydrazide3619-22-555 % similar 4-Hydroxybenzoic acid hydrazide5351-23-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide22179-86-8 3-(Trifluoromethyl)benzoic acid hydrazide22227-25-4 2-(Trifluoromethyl)benzoic acid hydrazide344-95-6 3-(Trifluoromethyl)benzamidoxime40067-80-9

Elsewhere

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