(2,3-dimethylphenyl)hydrazine hydrate hydrochloride

• ChemBase ID: 151476
• Molecular Formular: C8H15ClN2O
• Molecular Mass: 190.6705
• Monoisotopic Mass: 190.08729079
• SMILES: Cc1cccc(c1C)NN.O.Cl
• Canonical SMILES: NNc1cccc(c1C)C.O.Cl
• InChI: InChI=1S/C8H12N2.ClH.H2O/c1-6-4-3-5-8(10-9)7(6)2;;/h3-5,10H,9H2,1-2H3;1H;1H2
• InChIKey: CWLHVQVBNFKKSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dimethylphenyl)hydrazine hydrate hydrochloride
• IUPAC Traditional name: (2,3-dimethylphenyl)hydrazine hydrate hydrochloride
• Synonyms: 2,3-Dimethylphenylhydrazine hydrochloride hydrate; 2,3-二甲基苯肼 盐酸盐 水合物

Database IDs

• CAS Number: 123333-92-6
• MDL Number: MFCD00150150
• PubChem SID: 162245629; 24859434
• PubChem CID: 16212043

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.136637
• LogD (pH = 7.4): 2.3873806
• Log P: 2.3917313
• Molar Refractivity: 45.8471 cm^3
• Polarizability: 16.438433 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: (CH3)2C6H3NHNH2·HCl·xH2O

DETAILS

Sigma Aldrich - 324272

Packaging
25 g in glass bottle