Cangzhou Senary Chemical Science Tech Co Ltd | CAS 864070-18-8 | End Use API | Intermediate

CAS 864070-18-8

Chemistry, 5 End Use API, 152 Related Intermediates

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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 Formula	C₁₃H₁₀BrClO
Molecular Weight	297.57 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	295.96036 g/mol
Monoisotopic Mass	295.96036 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

864070-18-8

Intermediate Name

4-((5-bromo-2-chlorophenyl)methyl)p...

About the Company

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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