(4-bromo-2-nitrophenyl)hydrazine hydrochloride

• ChemBase ID: 22296
• Molecular Formular: C6H7BrClN3O2
• Molecular Mass: 268.49568
• Monoisotopic Mass: 266.94101616
• SMILES: N(N)c1c(cc(cc1)Br)[N+](=O)[O-].Cl
• Canonical SMILES: NNc1ccc(cc1[N+](=O)[O-])Br.Cl
• InChI: InChI=1S/C6H6BrN3O2.ClH/c7-4-1-2-5(9-8)6(3-4)10(11)12;/h1-3,9H,8H2;1H
• InChIKey: SIBURLORIWZQNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-2-nitrophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-bromo-2-nitrophenyl)hydrazine hydrochloride
• Synonyms: 4-Bromo-2-nitrophenylhydrazine hydrochloride; 4-Bromo-2-nitrophenylhydrazine hydrochloride; 4-溴-2-硝基苯肼盐酸盐

Database IDs

• CAS Number: 100032-79-9
• MDL Number: MFCD09260482
• PubChem SID: 160985603
• PubChem CID: 44119379

CALCULATED PROPERTIES

• Acid pKa: 13.745337
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.6676698
• LogD (pH = 7.4): 2.7228737
• Log P: 2.7236252
• Molar Refractivity: 49.708 cm^3
• Polarizability: 17.795403 Å^3
• Polar Surface Area: 81.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184-185°C(dec); ca 185°C dec.

Safety Information

• Storage Warning: IRRITANT, KEEP COLD
• 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%