(2,4,6-trimethylphenyl)hydrazine hydrochloride

• ChemBase ID: 21472
• Molecular Formular: C9H15ClN2
• Molecular Mass: 186.6818
• Monoisotopic Mass: 186.09237617
• SMILES: c1c(cc(c(c1C)NN)C)C.Cl
• Canonical SMILES: NNc1c(C)cc(cc1C)C.Cl
• InChI: InChI=1S/C9H14N2.ClH/c1-6-4-7(2)9(11-10)8(3)5-6;/h4-5,11H,10H2,1-3H3;1H
• InChIKey: XFGPCULNJGZRTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,6-trimethylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2,4,6-trimethylphenyl)hydrazine hydrochloride
• Synonyms: (2,4,6-trimethylphenyl)hydrazine hydrochloride; 1-Mesitylhydrazine hydrochloride; 2,4,6-Trimethylphenylhydrazine hydrochloride; 2,4,6-Trimethylphenylhydrazine hydrochloride; 2,4,6-三甲基苯肼

Database IDs

• CAS Number: 76195-82-9
• MDL Number: MFCD00052268
• PubChem SID: 160984779
• PubChem CID: 2774883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.64444
• LogD (pH = 7.4): 2.900675
• Log P: 2.9051526
• Molar Refractivity: 50.8883 cm^3
• Polarizability: 18.204092 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167-173 °C; 167-173(dec.)°C; 168 - 170°C; 185°C(dec)
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: TOXIC; Toxic/Harmful/Store under Argon
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25
• Safety Statements: 45
• TSCA Listed: false
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C9H14N2 · HCl

DETAILS

Sigma Aldrich - 683698

Packaging
500 mg in glass bottle