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    CAS 61397-56-6

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    CAS 61397-56-6
    Also known as: Cis-bbd, 61397-56-6, 61397-57-7, Cis-[2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate, [(2r,4r)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate, Trans-[2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
    Molecular Formula
    C18H15BrCl2O4
    Molecular Weight
    446.1  g/mol
    InChI Key
    OXUPOIXSQGXRGF-KSSFIOAISA-N
    1 2D Structure

    CAS 61397-56-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
    2.1.2 InChI
    InChI=1S/C18H15BrCl2O4/c19-11-18(15-7-6-13(20)8-16(15)21)24-10-14(25-18)9-23-17(22)12-4-2-1-3-5-12/h1-8,14H,9-11H2/t14-,18-/m0/s1
    2.1.3 InChI Key
    OXUPOIXSQGXRGF-KSSFIOAISA-N
    2.1.4 Canonical SMILES
    C1C(OC(O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3
    2.1.5 Isomeric SMILES
    C1[C@@H](O[C@@](O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Cis-bbd

    2. 61397-56-6

    3. 61397-57-7

    4. Cis-[2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate

    5. [(2r,4r)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate

    6. Trans-[2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate

    7. [(2r,4s)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate

    8. Schembl9096638

    9. Dtxsid60976954

    10. Zinc1253773

    11. Mfcd07370171

    12. Akos015963350

    13. Ac-19910

    14. Bs-32626

    15. (2r)-2beta-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4beta-methanol Benzoate

    16. 1,3-dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-,benzoate, (2r,4r)-rel-

    17. 1,3-dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, Benzoate, (2r,4r)-rel-

    2.3 Create Date
    2005-07-11
    3 Chemical and Physical Properties
    Molecular Weight 446.1 g/mol
    Molecular Formula C18H15BrCl2O4
    XLogP34.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area44.8
    Heavy Atom Count25
    Formal Charge0
    Complexity460
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                                            Cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-...

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                                            134071-44-6
                                            Ketoconazole
                                            Stellence Pharmscience Private Limited is a company keenly involved in the business of manufacturing Acti...
                                            Stellence Pharmscience Private Limited is a company keenly involved in the business of manufacturing Active Pharmaceuticals Ingredients (API), High End Intermediates (HEIN) and Contrast Media Products (CMP). In its aspiration to locate a suitable manufacturing location in Bangalore, the company identified and acquired Karnataka Chemsyn Limited (KCL), which was under rehabilitation with the Bureau of Industrial Finance and Reconstruction (BIFR), Govt. of India. With infusion of capital into the company, it has now been rehabilitated and restructured and is a vibrant manufacturing facility located at Jigani, in South Bangalore.
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                                            Val Organics

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                                              2,4-DichloroAcetophenone

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                                              2234-16-4
                                              Ketoconazole
                                              Val Organics Private Limited was established in 1998, headquartered in Mumbai. Over a period, the Company...
                                              Val Organics Private Limited was established in 1998, headquartered in Mumbai. Over a period, the Company has grown progressively to become a leading manufacturer of intermediates for Dyestuffs, Pigments, Pharma and Agro-chemical industries. Today we supply to most of the multinational and large renowned Indian companies in their respective fields. We are among the leading exporters of Intermediates in our market segments. Val Organics Private Limited is the leader of Friedel Crafts reactions and distillation processes in the country with high quality products and flexibility of the plant to cater to specific customer needs.
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                                              Val Organics

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                                                2,4-DichloroAcetophenone

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                                                2234-16-4
                                                Itraconazole
                                                Val Organics Private Limited was established in 1998, headquartered in Mumbai. Over a period, the Company...
                                                Val Organics Private Limited was established in 1998, headquartered in Mumbai. Over a period, the Company has grown progressively to become a leading manufacturer of intermediates for Dyestuffs, Pigments, Pharma and Agro-chemical industries. Today we supply to most of the multinational and large renowned Indian companies in their respective fields. We are among the leading exporters of Intermediates in our market segments. Val Organics Private Limited is the leader of Friedel Crafts reactions and distillation processes in the country with high quality products and flexibility of the plant to cater to specific customer needs.
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                                                Yufeng International

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                                                  2,4-Dichloroacetophenone

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                                                  2234-16-4
                                                  Ketoconazole
                                                  Yufeng International Co.,Ltd has a wide range of products to serve the worldwide chemical partners. Since...
                                                  Yufeng International Co.,Ltd has a wide range of products to serve the worldwide chemical partners. Since our first production facility built in 1975, we have grown into a group company with three factories in China and four sales offices in different countries today. Our production covers Pharmaceuticals, Agro chemicals, Petrochemicals, Water treatment chemicals, fine chemicals etc. With our result-oriented R&D team, we are capable to manufacture of high-value specialty products either based on our own end products or develop customized product for our clients.
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                                                  ZCL CHEMICALS LTD

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                                                  1-Acetyl-4-(4-hydroxyphenyl) piperazine

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                                                  67914-60-7
                                                  Ketoconazole
                                                  ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. ...
                                                  ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. Established in 1991, the company head quarter is in Mumbai .The R&D Center and cGMP-manufacturing facility is in the Industrial heart of Ankleshwar city in Gujarat, 300 k.m. North of Mumbai, well connected by Road, Rail and Air enabling swift cargo movement to the nearest major sea/airport being Mumbai. The Company delivers a broad range of advance fine chemical intermediates and active.
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                                                  ZCL CHEMICALS LTD

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                                                  2,4-Dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phe...

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                                                  252964-68-4
                                                  Itraconazole
                                                  ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. ...
                                                  ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. Established in 1991, the company head quarter is in Mumbai .The R&D Center and cGMP-manufacturing facility is in the Industrial heart of Ankleshwar city in Gujarat, 300 k.m. North of Mumbai, well connected by Road, Rail and Air enabling swift cargo movement to the nearest major sea/airport being Mumbai. The Company delivers a broad range of advance fine chemical intermediates and active.
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                                                  fermion-oy-2024-05-13

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                                                  Inke S.A: APIs manufacturing plant.

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