(3,5-dimethylphenyl)hydrazine hydrochloride

• ChemBase ID: 69962
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: N(N)c1cc(cc(c1)C)C.Cl
• Canonical SMILES: NNc1cc(C)cc(c1)C.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-6-3-7(2)5-8(4-6)10-9;/h3-5,10H,9H2,1-2H3;1H
• InChIKey: RSBQANBNDXZFIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,5-dimethylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3,5-dimethylphenyl)hydrazine hydrochloride
• Synonyms: 3,5-Dimethylphenylhydrazine hydrochloride; 3,5-Dimethylphenylhydrazine hydrochloride; 3,5-Dimethylphenylhydrazine hydrochloride 98%; (3,5-dimethylphenyl)hydrazine hydrochloride; 3,5-二甲基苯肼 盐酸盐

Database IDs

• CAS Number: 60481-36-9
• MDL Number: MFCD00052269
• PubChem SID: 162035687
• PubChem CID: 12651341

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1257217
• LogD (pH = 7.4): 2.3871326
• Log P: 2.3917313
• Molar Refractivity: 45.8471 cm^3
• Polarizability: 16.438353 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C; 180(dec.)°C; 180°C dec.
• Hydrophobicity(logP): 2.263

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%; 95+%; 98%
• Salt Data: HCl