(1,2-dibromoethyl)benzene

• ChemBase ID: 89210
• Molecular Formular: C8H8Br2
• Molecular Mass: 263.95712
• Monoisotopic Mass: 261.89927426
• SMILES: BrC(c1ccccc1)CBr
• Canonical SMILES: BrCC(c1ccccc1)Br
• InChI: InChI=1S/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2
• InChIKey: SHKKTLSDGJRCTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,2-dibromoethyl)benzene
• IUPAC Traditional name: (1,2-dibromoethyl)benzene
• Synonyms: (1,2-Dibromoethyl)benzene; 1,2-Dibromo-1-phenylethane; Phenylethylene bromide; Styrene dibromide; (1,2-Dibromoethyl)benzene; 1,2-二溴-1-苯乙烷; 二溴化苯乙烯; 苯乙烯二溴化物; 1,2-二溴乙基苯; (1,2-二溴乙基)苯

Database IDs

• CAS Number: 93-52-7
• EC Number: 202-253-4
• MDL Number: MFCD00000138
• Beilstein Number: 907323
• PubChem SID: 24860601; 162076093; 24850710
• PubChem CID: 7145

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6557353
• LogD (pH = 7.4): 3.6557353
• Log P: 3.6557353
• Molar Refractivity: 50.9054 cm^3
• Polarizability: 19.563707 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-73 °C; 70-74 °C(lit.); 70-74°C
• Boiling Point: 139-140°C/15mm; 139-141 °C/15 mmHg(lit.)

Safety Information

• RTECS: CZ1800100
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-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: ≥98.0% (GCF); 95+%; 97%; 99%
• Grade: purum
• Linear Formula: C6H5CH(Br)CH2Br

DETAILS

Sigma Aldrich - 178012

Packaging
5, 100, 500 g in glass bottle