loader
Please Wait
Applying Filters...
menu
    • menu

    Technical details about Benzene,, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

    Virtual Booth

    Contact Supplier

    Bora Pharmaceuticals- Making success more certain.

    Virtual Booth

    Contact Supplier

    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

    Virtual Booth

    Contact Supplier

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Virtual Booth

    Contact Supplier

    Axplora- The partner of choice for complex APIs.

    Virtual Booth

    Contact Supplier

    Fareva is a one-stop-shop for API/HPAPI, OSD & Sterile products, is USFDA, EMA and PMDA-inspected and has multiple NDA & ANDA filings.

    Virtual Booth

    Contact Supplier

    Menu

    Benzene

    ACTIVE PHARMA INGREDIENTS

    PRICE INFORMATION

    DIGITAL CONTENT

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 503070-57-3, 2-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene, Benzene, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichloro, 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene, Mfcd21337362, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene
    Molecular Formula
    C15H21BrCl2O2
    Molecular Weight
    384.1  g/mol
    InChI Key
    AKLUHFHHUBIDQA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene
    2.1.2 InChI
    InChI=1S/C15H21BrCl2O2/c16-8-3-1-2-4-9-19-10-11-20-12-13-14(17)6-5-7-15(13)18/h5-7H,1-4,8-12H2
    2.1.3 InChI Key
    AKLUHFHHUBIDQA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Cl)COCCOCCCCCCBr)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 503070-57-3

    2. 2-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene

    3. Benzene, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichloro

    4. 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene

    5. Mfcd21337362

    6. 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene

    7. 2-(2-(6-bromohexyloxy)ethoxymethyl)-1,3-dichlorobenzene

    8. 2-({2-[(6-bromohexyl)oxy]ethoxy}methyl)-1,3-dichlorobenzene

    9. Vilanterol Intermediate

    10. Schembl924842

    11. Amy30043

    12. Bcp17123

    13. Cs-m2591

    14. Zinc114854410

    15. Ac-30864

    16. Ds-12378

    17. Sy046035

    18. Ft-0777906

    19. F11658

    20. 2-[2-(6-bromo-hexyloxy)-ethoxvmethyl]-1,3-dichloro-benzene

    21. 2-[2-(6-bromo-hexyloxy)-ethoxymethyl]-1,3-dichloro-benzene

    22. Benzene,2-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichloro-

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 384.1 g/mol
    Molecular Formula C15H21BrCl2O2
    XLogP34.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count11
    Exact Mass382.01020 g/mol
    Monoisotopic Mass382.01020 g/mol
    Topological Polar Surface Area18.5 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity222
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1