1-(2-bromoethoxy)-2,4-dichlorobenzene

• ChemBase ID: 40988
• Molecular Formular: C8H7BrCl2O
• Molecular Mass: 269.95058
• Monoisotopic Mass: 267.9057322
• SMILES: c1(cc(ccc1OCCBr)Cl)Cl
• Canonical SMILES: BrCCOc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C8H7BrCl2O/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2
• InChIKey: OEYZGSRLAGSENP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-2,4-dichlorobenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-2,4-dichlorobenzene
• Synonyms: 1-(2-Bromoethoxy)-2,4-dichlorobenzene; 1-(2-Bromoethoxy)-2,4-dichlorobenzene; 1-(2-溴乙氧基)-2,4-二氯苯

Database IDs

• CAS Number: 6954-77-4
• MDL Number: MFCD00043464
• PubChem SID: 162045751
• PubChem CID: 138881

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8736491
• LogD (pH = 7.4): 3.8736491
• Log P: 3.8736491
• Molar Refractivity: 54.4576 cm^3
• Polarizability: 21.3395 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120 - 130 °C @ 0.4mm Hg; 120-130°C/0.4mm

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 97+%