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CAS 628-20-6

Chemistry, 2 End Use API, 8 Related Intermediates

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Also known as: 628-20-6, 4-chlorobutanenitrile, Butanenitrile, 4-chloro-, Butyronitrile, 4-chloro-, Gamma-chlorobutyronitrile, 4-chloro-butyronitrile

Molecular Formula

C₄H₆ClN

Molecular Weight

103.55 g/mol

InChI Key

ZFCFBWSVQWGOJJ-UHFFFAOYSA-N

FDA UNII

9JDK6275GP

1 2D Structure

CAS 628-20-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chlorobutanenitrile

2.1.2 InChI

InChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2

2.1.3 InChI Key

ZFCFBWSVQWGOJJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CC#N)CCl

2.2 Other Identifiers

2.2.1 UNII

9JDK6275GP

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 628-20-6

2. 4-chlorobutanenitrile

3. Butanenitrile, 4-chloro-

4. Butyronitrile, 4-chloro-

5. Gamma-chlorobutyronitrile

6. 4-chloro-butyronitrile

7. .gamma.-chlorobutyronitrile

8. Mfcd00001972

9. 9jdk6275gp

10. Nsc-8410

11. Nsc 8410; Gamma-chlorobutyronitrile

12. 1-chloro-3-cyanopropane

13. Nsc 8410

14. Einecs 211-031-6

15. Brn 1633582

16. Ai3-52325

17. 4chlorobutyronitrile

18. 4-chlorobutytonitrile

19. 4-chloro-butanenitrile

20. 4-chloranylbutanenitrile

21. 3-chloro-1-cyanopropane

22. 1-iodo-4-ethoxy-benzene

23. Unii-9jdk6275gp

24. 4-chlorobutyronitrile, 97%

25. 4-02-00-00827 (beilstein Handbook Reference)

26. Schembl435492

27. Dtxsid0060850

28. Nsc8410

29. Amy40893

30. Cs-d1161

31. Str02693

32. Zinc1586659

33. Stl185541

34. Akos000120694

35. Sy001790

36. Db-054298

37. Ft-0618204

38. A834018

39. Q-200458

40. F0001-1691

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₆ClN
Molecular Weight	103.55 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	103.0188769 g/mol
Monoisotopic Mass	103.0188769 g/mol
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.2
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

1075-89-4

End Use API

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Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry since our inception in 1988. Our resources are dedicated to promoting better health through products that offer superior value. Located in Pithampur, Madhya Pradesh, Medilux Laboratories is committed to strategic research, delivering a complex range of globally benchmarked chemistries. Our products and services are rapidly making strides in the global pharmaceutical space, giving us the impetus to constantly strive for excellence and provide quality customer service.

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