(2,4,6-trichlorophenyl)hydrazine

• ChemBase ID: 123362
• Molecular Formular: C6H5Cl3N2
• Molecular Mass: 211.4763
• Monoisotopic Mass: 209.95183121
• SMILES: c1(c(cc(cc1Cl)Cl)Cl)NN
• Canonical SMILES: NNc1c(Cl)cc(cc1Cl)Cl
• InChI: InChI=1S/C6H5Cl3N2/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2,11H,10H2
• InChIKey: MULHANRBCQBHII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,6-trichlorophenyl)hydrazine
• IUPAC Traditional name: (2,4,6-trichlorophenyl)hydrazine
• Synonyms: (2,4,6-trichlorophenyl)hydrazine; 2,4,6-Trichlorophenylhydrazine; 2,4,6-三氯苯肼

Database IDs

• CAS Number: 5329-12-4
• EC Number: 226-217-2
• MDL Number: MFCD00025090
• Beilstein Number: 1841962
• PubChem SID: 162217715
• PubChem CID: 79234

CALCULATED PROPERTIES

• Acid pKa: 15.285168
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1044784
• LogD (pH = 7.4): 3.1760294
• Log P: 3.1770225
• Molar Refractivity: 50.1791 cm^3
• Polarizability: 18.626516 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140-142 °C(lit.); 140-142°C; 141 - 143°C
• Hydrophobicity(logP): 3.849

Safety Information

• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 9-26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%; 99%
• Linear Formula: Cl3C6H2NHNH2