(4-bromophenyl)hydrazine hydrochloride

• ChemBase ID: 19163
• Molecular Formular: C6H8BrClN2
• Molecular Mass: 223.49812
• Monoisotopic Mass: 221.95593795
• SMILES: Cl.c1c(ccc(c1)NN)Br
• Canonical SMILES: NNc1ccc(cc1)Br.Cl
• InChI: InChI=1S/C6H7BrN2.ClH/c7-5-1-3-6(9-8)4-2-5;/h1-4,9H,8H2;1H
• InChIKey: RGGOWBBBHWTTRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromophenyl)hydrazine hydrochloride
• IUPAC Traditional name: hydrazine, (4-bromophenyl)- hydrochloride
• Synonyms: 1-Bromo-4-hydrazinobenzene monohydrochloride; 4-Bromophenylhydrazine monohydrochloride; 4-Bromophenylhydrazine hydrochloride; 4-Bromophenylhydrazine hydrochloride 98%; 4-Bromophenylhydrazine hydrochloride; (4-bromophenyl)hydrazine hydrochloride; 4-溴苯肼 盐酸盐; 4-溴苯肼盐酸盐

Database IDs

• CAS Number: 41931-18-4; 622-88-8
• EC Number: 255-590-4
• MDL Number: MFCD00012941
• Beilstein Number: 3565838
• PubChem SID: 24848576; 160982470; 24850889
• PubChem CID: 12157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9244157
• LogD (pH = 7.4): 2.1302688
• Log P: 2.133641
• Molar Refractivity: 43.3875 cm^3
• Polarizability: 15.693236 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C; 211-214(dec.)°C; 213-217°C; 220-230 °C (dec.)(lit.); 220-230(dec.)°C; ca 215°C dec.
• Hydrophobicity(logP): 2.43

Safety Information

• Storage Warning: Corrosive/Harmful/Light Sensitive/Keep Cold/Store under Argon; IRRITANT; Irritant
• RTECS: MV0800000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-36/37/38; 34
• Safety Statements: 26-36/37; 26-36/37/39-45
• TSCA Listed: false; 是
• 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 3261 8/PG 2

Product Information

• Purity: ≥99.0% (AT); 95%; 97%; 98%; 99%
• Grade: puriss.
• Salt Data: HCl
• Ignition Residue: ≤0.2%
• Linear Formula: BrC6H4NHNH2·HCl

DETAILS

Sigma Aldrich - 143219

Packaging
10, 50 g in poly bottle