(2,3-dichlorophenyl)hydrazine hydrochloride

• ChemBase ID: 90188
• Molecular Formular: C6H7Cl3N2
• Molecular Mass: 213.49218
• Monoisotopic Mass: 211.96748127
• SMILES: N(c1c(c(ccc1)Cl)Cl)N.Cl
• Canonical SMILES: NNc1cccc(c1Cl)Cl.Cl
• InChI: InChI=1S/C6H6Cl2N2.ClH/c7-4-2-1-3-5(10-9)6(4)8;/h1-3,10H,9H2;1H
• InChIKey: RHNATWVYOKUFLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dichlorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2,3-dichlorophenyl)hydrazine hydrochloride
• Synonyms: 2,3-Dichlorophenylhydrazine hydrochloride; 2,3-Dichlorophenylhydrazine hydrochloride 97%; (2,3-Dichlorophenyl)hydrazine hydrochloride; 2,3-二氯苯基肼 盐酸盐

Database IDs

• CAS Number: 21938-47-6
• EC Number: 000-000-0
• MDL Number: MFCD00052265
• Beilstein Number: 3708910
• PubChem SID: 162077028
• PubChem CID: 12276572

CALCULATED PROPERTIES

• Acid pKa: 17.67257
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4587598
• LogD (pH = 7.4): 2.5713358
• Log P: 2.5729778
• Molar Refractivity: 45.3743 cm^3
• Polarizability: 16.703915 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204°C; ca 204°C dec.

Safety Information

• Storage Warning: Harmful/Irritant
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 9-26-36/37
• TSCA Listed: 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: 97%