1-phenyl-2-(trifluoromethyl)hydrazine hydrochloride

• ChemBase ID: 296023
• Molecular Formular: C7H8ClF3N2
• Molecular Mass: 212.6000296
• Monoisotopic Mass: 212.03281061
• SMILES: c1ccc(cc1)NNC(F)(F)F.Cl
• Canonical SMILES: FC(NNc1ccccc1)(F)F.Cl
• InChI: InChI=1S/C7H7F3N2.ClH/c8-7(9,10)12-11-6-4-2-1-3-5-6;/h1-5,11-12H;1H
• InChIKey: BXQGHKRRGWXOGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-2-(trifluoromethyl)hydrazine hydrochloride
• IUPAC Traditional name: 1-phenyl-2-(trifluoromethyl)hydrazine hydrochloride
• Synonyms: alpha,alpha,alpha-Trifluoro-o-tolylhydrazine monohydrochloride; 2-Hydrazinobenzotrifluoride hydrochloride; 2-(Trifluoromethyl)phenylhydrazine hydrochloride; 2-(三氟甲基)苯基肼盐酸盐

Database IDs

• CAS Number: 3107-34-4
• EC Number: 000-000-0
• MDL Number: MFCD00102619
• Beilstein Number: 4582303
• PubChem SID: 180681554
• PubChem CID: 45925639

CALCULATED PROPERTIES

• Acid pKa: 18.14927
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1773474
• LogD (pH = 7.4): 3.1773474
• Log P: 3.1773474
• Molar Refractivity: 46.6993 cm^3
• Polarizability: 14.10224 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 235°C dec.

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%