(2-bromoethyl)benzene

• ChemBase ID: 110267
• Molecular Formular: C8H9Br
• Molecular Mass: 185.06106
• Monoisotopic Mass: 183.98876229
• SMILES: BrCCc1ccccc1
• Canonical SMILES: BrCCc1ccccc1
• InChI: InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
• InChIKey: WMPPDTMATNBGJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethyl)benzene
• IUPAC Traditional name: (2-bromoethyl)benzene
• Synonyms: Phenethyl bromide; 2-Phenylethylbromide; (2-bromoethyl)benzene; 2-(BROMOETHYL)BENZENE; 2-Phenylethyl bromide; (2-Bromoethyl)benzene; 2-苯乙基溴; (2-溴乙基)苯

Database IDs

• CAS Number: 103-63-9
• EC Number: 203-130-8
• MDL Number: MFCD00000240
• Beilstein Number: 507487
• PubChem SID: 162095595; 24891921
• PubChem CID: 7666
• Chemspider ID: 7383
• Wikipedia Title: 2-Phenylethylbromide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0346444
• LogD (pH = 7.4): 3.0346444
• Log P: 3.0346444
• Molar Refractivity: 43.6634 cm^3
• Polarizability: 16.560854 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Colorless to yellow liquid
• Melting Point: -56°C; -56°C
• Boiling Point: 220-221 °C(lit.); 220-221°C; 220-221°C; 221°C
• Flash Point: 204.8 °F; 89 °C; 89°C(192°F); 96 °C
• Density: 1.355; 1.355 g/ml; 1.355 g/mL at 25 °C(lit.); 1.355g/cm3
• Refractive Index: 1.5560; n20/D 1.556; n20/D 1.556(lit.)
• Hydrophobicity(logP): 3.023

Safety Information

• RTECS: CY9032000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36; 22-36/37/38; R:22-36/37/38
• Safety Statements: 26; 26-36/37; S:25-26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H319
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 95%; 97%; 98%
• Grade: purum
• Linear Formula: C6H5CH2CH2Br

DETAILS

MP Biomedicals - 05214343

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B65780

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 77920

Caution
may discolor to yellow on storage