(2-bromoethoxy)benzene

• ChemBase ID: 74233
• Molecular Formular: C8H9BrO
• Molecular Mass: 201.06046
• Monoisotopic Mass: 199.98367691
• SMILES: O(c1ccccc1)CCBr
• Canonical SMILES: BrCCOc1ccccc1
• InChI: InChI=1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
• InChIKey: JJFOBACUIRKUPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethoxy)benzene
• IUPAC Traditional name: benzene, (2-bromoethoxy)-
• Synonyms: β-BROMOPHENETOLE; β-PHENOXYETHYL BROMIDE; (2-Bromoethoxy)benzene; 1-Phenoxy-2-bromoethane; NSC 8055; 1-Bromo-2-phenoxyethane; 2-Bromoethyl phenyl ether; β-Bromophenetole; 2-Phenoxyethyl bromide 98%; beta-Bromophenetole; 2-Phenoxyethyl bromide; (2-Bromoethoxy)benzene; 2-溴乙基苯基醚; β-溴苯乙醚; 2-苯氧基乙基溴

Database IDs

• CAS Number: 589-10-6
• EC Number: 209-634-4
• MDL Number: MFCD00000234
• Beilstein Number: 508290
• PubChem SID: 24892007; 162039152
• PubChem CID: 68526

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6655598
• LogD (pH = 7.4): 2.6655598
• Log P: 2.6655598
• Molar Refractivity: 44.848 cm^3
• Polarizability: 17.374302 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: White Solid
• Melting Point: 25-30°C; 31-34 °C(lit.); 31-35°C; 31-35°C
• Boiling Point: 135-137°C/20mm; 135-137°C/20mm; 144 °C/40 mmHg(lit.)
• Flash Point: 149 °F; 65 °C; 65°C; 65°C(149°F)
• Density: 1.35; 1.350

Safety Information

• Storage Warning: Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: C6H5OCH2CH2Br

DETAILS

MP Biomedicals - 05221322

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05201753

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B75506

Packaging
25, 100 g in glass bottle