[3-(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 9283
• Molecular Formular: C7H7F3N2
• Molecular Mass: 176.1390896
• Monoisotopic Mass: 176.05613289
• SMILES: c1cc(cc(c1)NN)C(F)(F)F
• Canonical SMILES: NNc1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C7H7F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4,12H,11H2
• InChIKey: RSESUCWJKLHXEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [3-(trifluoromethyl)phenyl]hydrazine
• Synonyms: 3-(Trifluoromethyl)phenylhydrazine; 3-Hydrazinobenzotrifluoride; 3-Hydrazino-alpha,alpha,alpha-trifluorotoluene; 3-(Trifluoromethyl)phenylhydrazine 97%; 3-(Trifluoromethyl)phenylhydrazine; alpha,alpha,alpha-Trifluoro-m-tolylhydrazine; (3-(TrifluoroMethyl)phenyl)hydrazine; 3-(三氟甲基)苯肼

Database IDs

• CAS Number: 368-78-5
• EC Number: 206-713-5
• MDL Number: MFCD00025093
• Beilstein Number: 640075
• PubChem SID: 24861559; 160972590
• PubChem CID: 98650

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0577643
• LogD (pH = 7.4): 2.2398424
• Log P: 2.2427368
• Molar Refractivity: 41.7384 cm^3
• Polarizability: 14.084188 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 139-140°C/30mm; 139-140°C/30mm; 140°C/30mm; 80-83 °C/9 mmHg(lit.)
• Flash Point: 107 °C; 107°C; 107°C(224°F); 224.6 °F
• Density: 1.348; 1.348 g/mL at 25 °C(lit.)
• Refractive Index: 1.504; 1.5040; n20/D 1.504(lit.)

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon; IRRITANT, IRRITANT-HARMFUL
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39; 9-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319; 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: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 90%; 95%; 95+%; 97%
• Grade: technical grade
• Linear Formula: CF3C6H4NHNH2

DETAILS

Sigma Aldrich - 348228

Packaging
1 g in glass bottle