CAS 872-31-1

Chemistry

Chemistry

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1 Suppliers

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Also known as: 872-31-1, Thiophene, 3-bromo-, 3-thienyl bromide, 3-bromothiofuran, 3-bromo-thiophene, .beta.-bromothiophene

Molecular Formula

C₄H₃BrS

Molecular Weight

163.04 g/mol

InChI Key

XCMISAPCWHTVNG-UHFFFAOYSA-N

FDA UNII

G818Z74YV0

1 2D Structure

CAS 872-31-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-bromothiophene

2.1.2 InChI

InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H

2.1.3 InChI Key

XCMISAPCWHTVNG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CSC=C1Br

2.2 Other Identifiers

2.2.1 UNII

G818Z74YV0

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 872-31-1

2. Thiophene, 3-bromo-

3. 3-thienyl Bromide

4. 3-bromothiofuran

5. 3-bromo-thiophene

6. .beta.-bromothiophene

7. 3-bromo Thiophene

8. Thiophene, 3-bromo-, Homopolymer

9. G818z74yv0

10. Nsc-96612

11. Beta-bromothiophene

12. 84928-93-8

13. Einecs 212-821-3

14. Nsc 96612

15. 3-bromothiphene

16. 3-bromthiophene

17. Nsc96612

18. Mfcd00005464

19. 3-bromothiophene, 97%

20. Schembl7276

21. Bidd:gt0802

22. Unii-g818z74yv0

23. Dtxsid2022129

24. Act10486

25. Zinc1626895

26. Akos005257789

27. Ac-4899

28. Am81213

29. Cs-w009226

30. Pb48063

31. Ps-5773

32. Db-006386

33. B1067

34. Ft-0600846

35. En300-36196

36. A19254

37. P20051

38. Q927001

39. Q-101190

40. W-204354

41. F0001-2168

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₃BrS
Molecular Weight	163.04 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	161.91388 g/mol
Monoisotopic Mass	161.91388 g/mol
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.8
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

872-31-1

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ESBR Labs is a research and manufacturing organization, which supports R&D programs from lead generation ...

ESBR Labs is a research and manufacturing organization, which supports R&D programs from lead generation to clinical studies. We also provide support for Fine chemicals, APIs and API Intermediates, custom synthesis, reference standards, impurity synthesis, small library synthesis and process development & committed to deliver on time. We are strongly committed on client satisfaction, quality, safety, ethics and integrity. Our ability to deliver significant value to our customers by leveraging our scientific skills, global mind set and cost competitiveness differentiates us as one of the most trusted partners.

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