(2-bromophenyl)hydrazine hydrochloride

• ChemBase ID: 55430
• Molecular Formular: C6H8BrClN2
• Molecular Mass: 223.49812
• Monoisotopic Mass: 221.95593795
• SMILES: c1(ccccc1NN)Br.Cl
• Canonical SMILES: NNc1ccccc1Br.Cl
• InChI: InChI=1S/C6H7BrN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H
• InChIKey: PHCYUJRYSFMJMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-bromophenyl)hydrazine hydrochloride
• Synonyms: 1-Bromo-2-(hydrazino)benzene hydrochloride; 2-Bromophenylhydrazine hydrochloride 98%; (2-Bromophenyl)hydrazine hydrochloride; 2-Bromophenylhydrazine hydrochloride; 2-BroMophenylhydrazine hydrochloride; 2-溴苯肼 盐酸盐; 2-溴苯基肼 盐酸盐

Database IDs

• CAS Number: 50709-33-6
• EC Number: 256-728-6
• MDL Number: MFCD00012926
• Beilstein Number: 3628612
• PubChem SID: 162060193; 24849360
• PubChem CID: 2723912

CALCULATED PROPERTIES

• Acid pKa: 19.02508
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9783266
• LogD (pH = 7.4): 2.1312962
• Log P: 2.133641
• Molar Refractivity: 43.3875 cm^3
• Polarizability: 15.69806 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182-189(dec.)°C; 189 °C (dec.)(lit.); 193 - 195°C; ca 188°C dec.
• Hydrophobicity(logP): 2.43

Safety Information

• Storage Warning: Corrosive/Light Sensitive/Hygroscopic/Store under Argon; Hygroscopic; IRRITANT
• European Hazard Symbols: Corrosive (C); X
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-36/37/38; 34
• Safety Statements: 26-27-36/37/39-45; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H314
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2

Product Information

• Purity: ≥98.0% (AT); 95%; 97%; 98%
• Grade: purum
• Salt Data: HCl
• Linear Formula: BrC6H4NHNH2·HCl

DETAILS

Sigma Aldrich - 153621

Packaging
10, 50 g in poly bottle