3-(Trifluoromethyl)benzoic acid hydrazide

C₈H₇F₃N₂OCAS 22227-25-4204.15 g/mol

Open in Covalent MOL file

Alkyl halide Amide Primary amine

Properties

Molecular formula: C₈H₇F₃N₂O
Molar mass: 204.15 g/mol
Exact mass: 204.0510 Da
logP: 1.31Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% 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

22227-25-4

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NN

InChIKey

HGUSYNBASYGAMC-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-2-5(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.

Work with 3-(Trifluoromethyl)benzoic acid hydrazide

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

3,3'-Bis(trifluoromethyl)benzophenone1868-00-460 % similar 3-(Trifluoromethyl)benzoyl fluoride328-99-457 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-255 % similar 3'-(Trifluoromethyl)acetophenone349-76-855 % similar 3-(Trifluoromethyl)benzoic acid454-92-255 % similar 3-(Trifluoromethyl)benzophenone728-81-455 % similar 3,4'-Bis(trifluoromethyl)benzophenone21084-22-054 % similar 3-(Trifluoromethyl)thiobenzamide53515-17-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide22179-86-8 p-(Trifluoromethyl)benzoylhydrazine339-59-3 2-(Trifluoromethyl)benzoic acid hydrazide344-95-6 3-(Trifluoromethyl)benzamidoxime40067-80-9

Elsewhere

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