(2,5-dimethylphenyl)hydrazine hydrochloride

• ChemBase ID: 34752
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: c1(c(ccc(c1)C)C)NN.Cl
• Canonical SMILES: NNc1cc(C)ccc1C.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-6-3-4-7(2)8(5-6)10-9;/h3-5,10H,9H2,1-2H3;1H
• InChIKey: OMOFMSZLYCEIAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,5-dimethylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2,5-dimethylphenyl)hydrazine hydrochloride
• Synonyms: 2,5-Dimethylphenylhydrazine hydrochloride; (2,5-Dimethylphenyl)hydrazine hydrochloride; 2,5-Dimethylphenylhydrazine hydrochloride; 2-(Hydrazino)-m-xylene hydrochloride; 2,5-Dimethylphenylhydrazine hydrochloride 97%; 2,5-DiMethylphenylhydrazinehydrochloride; 2,5-二甲基苯肼 盐酸盐

Database IDs

• CAS Number: 613-85-4; 56737-78-1
• MDL Number: MFCD00013382
• PubChem SID: 24859435; 160998059
• PubChem CID: 2734058

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1377716
• LogD (pH = 7.4): 2.387406
• Log P: 2.3917313
• Molar Refractivity: 45.8471 cm^3
• Polarizability: 16.43819 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C; 205 °C (dec.)(lit.); 205°C
• Hydrophobicity(logP): 2.263

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• 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

• Purity: 95%; 97%; 98%
• Salt Data: HCl
• Linear Formula: (CH3)2C6H3NHNH2·HCl

DETAILS

Sigma Aldrich - 324299

Packaging
25 g in glass bottle