[4-(trifluoromethoxy)phenyl]hydrazine hydrochloride

• ChemBase ID: 12161
• Molecular Formular: C7H8ClF3N2O
• Molecular Mass: 228.5994296
• Monoisotopic Mass: 228.02772523
• SMILES: N(N)c1ccc(cc1)OC(F)(F)F.Cl
• Canonical SMILES: NNc1ccc(cc1)OC(F)(F)F.Cl
• InChI: InChI=1S/C7H7F3N2O.ClH/c8-7(9,10)13-6-3-1-5(12-11)2-4-6;/h1-4,12H,11H2;1H
• InChIKey: KQXZVSQCMVKMBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(trifluoromethoxy)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-(trifluoromethoxy)phenyl]hydrazine hydrochloride
• Synonyms: 4-(Trifluoromethoxy)phenylhydrazine hydrochloride 97%; 4-(Trifluoromethoxy)phenylhydrazine hydrochloride; 4-(Trifluoromethoxy)phenylhydrazine hydrochloride; (4-(trifluoromethoxy)phenyl)hydrazine hydrochloride; 4-Trifluoromethoxyphenylhydrazine hydrochloride; 4-(三氟甲氧基)苯肼 盐酸盐; 4-(三氟甲氧基)苯肼盐酸盐

Database IDs

• CAS Number: 133115-72-7
• EC Number: None
• MDL Number: MFCD00053033
• PubChem SID: 160975468; 24862732
• PubChem CID: 2777328

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5890296
• LogD (pH = 7.4): 2.7926733
• Log P: 2.796
• Molar Refractivity: 38.835 cm^3
• Polarizability: 14.878726 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230 °C(lit.); 240-243°C; 240-243(dec.)°C; ca 225°C dec.

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26; 9-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Salt Data: HCl
• Linear Formula: CF3OC6H4NHNH2·HCl

DETAILS

Sigma Aldrich - 366951

Packaging
1 g in glass bottle