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    CAS 864070-18-8

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    CAS 864070-18-8
    Also known as: 864070-18-8, 4-[(5-bromo-2-chlorophenyl)methyl]phenol, Phenol, 4-[(5-bromo-2-chlorophenyl)methyl]-, Dapagliflozin impurity 39, Schembl17842, Dtxsid40726338
    Molecular Formula
    C13H10BrClO
    Molecular Weight
    297.57  g/mol
    InChI Key
    CSQCYSDEAYXXTN-UHFFFAOYSA-N
    1 2D Structure

    CAS 864070-18-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(5-bromo-2-chlorophenyl)methyl]phenol
    2.1.2 InChI
    InChI=1S/C13H10BrClO/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2
    2.1.3 InChI Key
    CSQCYSDEAYXXTN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CC2=C(C=CC(=C2)Br)Cl)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 864070-18-8

    2. 4-[(5-bromo-2-chlorophenyl)methyl]phenol

    3. Phenol, 4-[(5-bromo-2-chlorophenyl)methyl]-

    4. Dapagliflozin Impurity 39

    5. Schembl17842

    6. Dtxsid40726338

    7. Amy31452

    8. Mfcd19441145

    9. Zinc85224782

    10. 4-(5-bromo-2-chloro-benzyl)-phenol

    11. Akos016008069

    12. Sb17546

    13. Ac-29064

    14. As-10217

    15. Da-22435

    16. 4-[(5-bromo-2-chloro-phenyl)methyl]phenol

    17. Cs-0141423

    18. Ft-0718315

    19. C76807

    2.3 Create Date
    2012-08-08
    3 Chemical and Physical Properties
    Molecular Weight 297.57 g/mol
    Molecular Formula C13H10BrClO
    XLogP34.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass295.96036 g/mol
    Monoisotopic Mass295.96036 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity216
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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    Cangzhou Enke Pharma-tech Co., Ltd

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      Empagliflozin
      Cangzhou Enke Pharma Tech Co.,ltd. is located in Cangzhou City, Hebei province ,where is a famous petrole...
      Cangzhou Enke Pharma Tech Co.,ltd. is located in Cangzhou City, Hebei province ,where is a famous petroleum chemical industry city in China. Enke Pharma a high-tech enterprise ,and we are dedicated to developing and manufacturing new api, intermediates and pharmaceutical fine chemicals. Enke Pharma currently employs more than 20 technical staffs, including 2 doctors and 8 masters . At the same time our company established cooperative production bases in Cangzhou city Hebei province and Fuzhou city Jiangxi province. In addition to our own growing , we ‘d like to provide all-round service to our customers , like custom development, custom production and technical consulting.
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      Cangzhou Senary Chemical Science-te...

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        4-((5-bromo-2-chlorophenyl)methyl)phenol

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        Empagliflozin
        Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
        Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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        Kimia Biosciences

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          4-(5-bromo-2-chloro-benzyl)-phenol

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          Empagliflozin
          Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...
          Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.
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          SS Pharma

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            4-(5-Bromo-2-Chlorobenzyl)Phenol

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            SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...
            SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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            SS Pharma

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              4-(5-Bromo-2-Chlorobenzyl)Phenol

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              Dapagliflozin
              SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...
              SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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