(3-bromophenyl)hydrazine hydrochloride

• ChemBase ID: 32045
• Molecular Formular: C6H8BrClN2
• Molecular Mass: 223.49812
• Monoisotopic Mass: 221.95593795
• SMILES: c1cc(cc(c1)NN)Br.Cl
• Canonical SMILES: NNc1cccc(c1)Br.Cl
• InChI: InChI=1S/C6H7BrN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
• InChIKey: RPYIPFXHIKXRKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-bromophenyl)hydrazine hydrochloride
• Synonyms: 1-(3-Bromophenyl)hydrazine Hydrochloride; m-Bromphenylhydrazine Hydrochloride; 3-Bromophenylhydrazine hydrochloride; 3-Bromophenylhydrazine hydrochloride 98%; 3-Bromophenylhydrazine hydrochloride; (3-bromophenyl)hydrazine hydrochloride; 3-溴苯肼 盐酸盐; 3-溴苯肼 盐酸

Database IDs

• CAS Number: 27246-81-7
• EC Number: 248-362-0
• MDL Number: MFCD00012933
• Beilstein Number: 3565829
• PubChem SID: 24849392; 160995352; 24850886
• PubChem CID: 33757

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9405508
• LogD (pH = 7.4): 2.1305895
• Log P: 2.133641
• Molar Refractivity: 43.3875 cm^3
• Polarizability: 15.693478 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off- White to Light Beige Solid
• Melting Point: 218 - 220°C; 225-231(dec.)°C; 227-231 °C (dec.)(lit.); 252-254°C; ca 225°C; ca 225°C dec.
• Hydrophobicity(logP): 2.43

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Corrosive/Light Sensitive/Store under Argon; IRRITANT, HYGROSCOPIC, CORROSIVE
• RTECS: MV0815000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 1759
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36/37/39-45; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-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: ≥96% (AT); 95%; 98%
• Grade: technical
• Salt Data: HCl
• Linear Formula: BrC6H4NHNH2·HCl

DETAILS

Sigma Aldrich - 153958

Packaging
25 g in poly bottle
5 g in glass bottle

Toronto Research Chemicals - B686505

A phenylhydrazone derivative with fungicidal activity.