[2-Nitro-4-(trifluoromethyl)phenyl]hydrazine

C₇H₆F₃N₃O₂CAS 1513-50-4221.14 g/mol

Open in Covalent MOL file

Alkyl halide Nitro Primary amine Secondary amine

Properties

Molecular formula: C₇H₆F₃N₃O₂
Molar mass: 221.14 g/mol
Exact mass: 221.0412 Da
logP: 1.90Crippen estimate
Polar surface area: 81.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation50% 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

1513-50-4

SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NN

InChIKey

WJBJSMUUWDXKBR-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2

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Names and synonyms

1 names

(2-Nitro-4-trifluoromethyl-phenyl)-hydrazine

Work with [2-Nitro-4-(trifluoromethyl)phenyl]hydrazine

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

N-Isopropyl-2-nitro-4-(trifluoromethyl)aniline175277-90-467 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-664 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-763 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-262 % similar 2,4-Dinitrophenylhydrazine119-26-661 % similar 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-560 % similar 4-Bromo-3-nitrobenzotrifluoride349-03-160 % similar 2-Nitro-4-(trifluoromethyl)phenol400-99-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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