[4-(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 9277
• Molecular Formular: C7H7F3N2
• Molecular Mass: 176.1390896
• Monoisotopic Mass: 176.05613289
• SMILES: c1c(ccc(c1)NN)C(F)(F)F
• Canonical SMILES: NNc1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C7H7F3N2/c8-7(9,10)5-1-3-6(12-11)4-2-5/h1-4,12H,11H2
• InChIKey: DBNLGTYGKCMLLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [4-(trifluoromethyl)phenyl]hydrazine
• Synonyms: 4-(Trifluoromethyl)phenylhydrazine; 4-Hydrazinobenzotrifluoride; alpha,alpha,alpha-Trifluoro-p-tolylhydrazine; 4-(Trifluoromethyl)phenylhydrazine 97%; 4-(Trifluoromethyl)phenylhydrazine; (4-(TrifluoroMethyl)phenyl)hydrazine; 4-(三氟甲基)苯肼

Database IDs

• CAS Number: 368-90-1
• EC Number: 000-000-0
• MDL Number: MFCD00042508
• Beilstein Number: 743759
• PubChem SID: 160972584; 24865801
• PubChem CID: 136200

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0367053
• LogD (pH = 7.4): 2.239429
• Log P: 2.2427368
• Molar Refractivity: 41.7384 cm^3
• Polarizability: 14.084089 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-61°C; 60-64°C; 63-65 °C(lit.); 63-65°C
• Boiling Point: 118-122 °C/17 mmHg(lit.); 118-122°C/17mm; 119-121°C/17mm

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon/Keep Cold; IRRITANT-HARMFUL, KEEP COLD
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 96%; 97%; 98%
• Linear Formula: CF3C6H4NHNH2

DETAILS

Sigma Aldrich - 412295

Packaging
5 g in glass bottle