Sagar Life Sciences

CAS 82104-74-3

Chemistry, 7 End Use API, 34 Related Intermediates

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Also known as: 82104-74-3, 1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile, 1-oxo-3h-2-benzofuran-5-carbonitrile, 5-cyano phthalide, 1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile, 5-isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-

Molecular Formula

C₉H₅NO₂

Molecular Weight

159.14 g/mol

InChI Key

XEEGWTLAFIZLSF-UHFFFAOYSA-N

1 2D Structure

CAS 82104-74-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-oxo-3H-2-benzofuran-5-carbonitrile

2.1.2 InChI

InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2

2.1.3 InChI Key

XEEGWTLAFIZLSF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2=C(C=CC(=C2)C#N)C(=O)O1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 82104-74-3

2. 1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile

3. 1-oxo-3h-2-benzofuran-5-carbonitrile

4. 5-cyano Phthalide

5. 1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile

6. 5-isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-

7. Mfcd01072882

8. 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile

9. 5-cyanophthalid

10. Einecs 279-900-2

11. 5-cyanophthalide, 97%

12. Ec 279-900-2

13. Schembl1641

14. Dtxsid40868641

15. Zinc337934

16. Amy40169

17. Bcp13095

18. Ac9502

19. Akos015836116

20. Ac-5340

21. Cs-w016184

22. As-11983

23. Bp-12876

24. Sy051382

25. Db-056572

26. Diethyl 1-butylpyrrolidine-2,5-dicarboxylate

27. Ft-0620351

28. 104c743

29. A840246

30. Ar-011/40257489

31. W-104188

2.3 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₅NO₂
Molecular Weight	159.14 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	159.032028402 g/mol
Monoisotopic Mass	159.032028402 g/mol
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	253
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

460-00-4

End Use API

Citalopram

About the Company

We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating...

We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating back to 1998. Globally renowned for its Organic Compounds, Inorganic Compounds, Industrial Acids, Industrial Chemicals, Zinc Acetates, Calcium Chloride Dihydrates, Speciality Chemicals, and other products, Sagar Life Science Private Limited is a customer-centric business with a primary focus on innovations, quality, and customization. Since sustainability is among our core values, we concentrate on improving the efficiency of our processes to manufacture sustainable results.

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