1,4-bis(2-chloroethoxy)benzene

• ChemBase ID: 41507
• Molecular Formular: C10H12Cl2O2
• Molecular Mass: 235.10708
• Monoisotopic Mass: 234.02143498
• SMILES: c1(ccc(cc1)OCCCl)OCCCl
• Canonical SMILES: ClCCOc1ccc(cc1)OCCCl
• InChI: InChI=1S/C10H12Cl2O2/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4H,5-8H2
• InChIKey: DKPKDJGAQOVXJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(2-chloroethoxy)benzene
• IUPAC Traditional name: 1,4-bis(2-chloroethoxy)benzene
• Synonyms: p-Bis(2-chloroethoxy)benzene; 1,4-Bis(2-chloroethoxy)-benzene; 1,4-Bis(2-chloroethoxy)benzene

Database IDs

• CAS Number: 37142-37-3
• MDL Number: MFCD00222550
• PubChem SID: 162046270
• PubChem CID: 4286238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.986883
• LogD (pH = 7.4): 2.986883
• Log P: 2.986883
• Molar Refractivity: 57.671 cm^3
• Polarizability: 22.738207 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ethyl Acetate; Tetrahydrofuran
• Apperance: Off-White Solid
• Melting Point: 92 - 93 °C; 92-93°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%