(3,4-dimethylphenyl)hydrazine hydrochloride

• ChemBase ID: 70010
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: N(N)c1cc(c(cc1)C)C.Cl
• Canonical SMILES: NNc1ccc(c(c1)C)C.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-6-3-4-8(10-9)5-7(6)2;/h3-5,10H,9H2,1-2H3;1H
• InChIKey: YYMIOVAEQIEPET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dimethylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3,4-dimethylphenyl)hydrazine hydrochloride
• Synonyms: 3,4-Dimethylphenylhydrazine hydrochloride; 1-(3,4-dimethylphenyl)hydrazine hydrochloride; 3,4-Dimethylphenylhydrazine hydrochloride; 4-Hydrazino-o-xylene hydrochloride; 3,4-Dimethylphenylhydrazine hydrochloride 98%; 3,4-二甲基苯肼 盐酸盐

Database IDs

• CAS Number: 60481-51-8
• EC Number: 000-000-0
• MDL Number: MFCD00052270
• Beilstein Number: 6096060
• PubChem SID: 24878470; 162035735
• PubChem CID: 173740

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1290133
• LogD (pH = 7.4): 2.387208
• Log P: 2.3917313
• Molar Refractivity: 45.8471 cm^3
• Polarizability: 16.437426 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195-200 °C(lit.); 196(dec.)°C; ca 195°C dec.

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon; IRRITANT
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

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

DETAILS

Sigma Aldrich - 540455

Packaging
25 g in glass bottle