(2-methylphenyl)hydrazine hydrate hydrochloride

• ChemBase ID: 137176
• Molecular Formular: C7H13ClN2O
• Molecular Mass: 176.64392
• Monoisotopic Mass: 176.07164073
• SMILES: Cc1ccccc1NN.O.Cl
• Canonical SMILES: NNc1ccccc1C.O.Cl
• InChI: InChI=1S/C7H10N2.ClH.H2O/c1-6-4-2-3-5-7(6)9-8;;/h2-5,9H,8H2,1H3;1H;1H2
• InChIKey: GDHBEWJUENDAIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylphenyl)hydrazine hydrate hydrochloride
• IUPAC Traditional name: (2-methylphenyl)hydrazine hydrate hydrochloride
• Synonyms: o-Tolylhydrazine hydrochloride hydrate; 邻甲基苯肼 盐酸盐 水合物

Database IDs

• CAS Number: 123334-17-8
• EC Number: 211-232-9
• MDL Number: MFCD00150101
• PubChem SID: 162231441
• PubChem CID: 20518352

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6401368
• LogD (pH = 7.4): 1.8743321
• Log P: 1.8783098
• Molar Refractivity: 40.8059 cm^3
• Polarizability: 14.672367 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187-190 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Linear Formula: CH3C6H4NHNH2·HCl·xH2O