2-chloro-1,4-dipropoxybenzene

• ChemBase ID: 107286
• Molecular Formular: C12H17ClO2
• Molecular Mass: 228.71518
• Monoisotopic Mass: 228.09170746
• SMILES: CCCOc1ccc(OCCC)c(Cl)c1
• Canonical SMILES: CCCOc1ccc(c(c1)Cl)OCCC
• InChI: InChI=1S/C12H17ClO2/c1-3-7-14-10-5-6-12(11(13)9-10)15-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
• InChIKey: SWQFWWUXVCCQSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,4-dipropoxybenzene
• IUPAC Traditional name: 2-chloro-1,4-dipropoxybenzene
• Synonyms: CHLOROHYDROQUINONE DI-n-PROPYL ETHER; 2-Chloro-1,4-di-n-propoxybenzene; 2-氯-1,4-二-n-丙氧基苯

Database IDs

• CAS Number: 916791-98-5
• MDL Number: MFCD00048688
• PubChem SID: 162106010
• PubChem CID: 7020403

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0206084
• LogD (pH = 7.4): 4.0206084
• Log P: 4.0206084
• Molar Refractivity: 62.3344 cm^3
• Polarizability: 24.61635 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5130

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05203226

MP Biomedicals Rare Chemical collection