2-Chlorobenzonitrile

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3 Suppliers, 3 End Use APIs, 99 Related Intermediates

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3 End Use APIs
99 Related Intermediates

Soujanya 2-Chlorobenzonitrile (OCBN)

Chemistry

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Also known as: 873-32-5, O-chlorobenzonitrile, Benzonitrile, 2-chloro-, O-chlorocyanobenzene, O-cyanochlorobenzene, Benzonitrile, o-chloro-

Molecular Formula

C₇H₄ClN

Molecular Weight

137.56 g/mol

InChI Key

NHWQMJMIYICNBP-UHFFFAOYSA-N

FDA UNII

C8Z5NE7QXJ

1 2D Structure

2-Chlorobenzonitrile

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chlorobenzonitrile

2.1.2 InChI

InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H

2.1.3 InChI Key

NHWQMJMIYICNBP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C#N)Cl

2.2 Other Identifiers

2.2.1 UNII

C8Z5NE7QXJ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 873-32-5

2. O-chlorobenzonitrile

3. Benzonitrile, 2-chloro-

4. O-chlorocyanobenzene

5. O-cyanochlorobenzene

6. Benzonitrile, O-chloro-

7. 2-chloro-benzonitrile

8. O-chlorbenzonitril

9. Chlorobenzonitrile

10. Nitril Kyseliny O-chlorbenzoove

11. Dtxsid5052593

12. Nsc-8438

13. 61593-47-3

14. O-chlorbenzonitril [czech]

15. Nitril Kyseliny O-chlorbenzoove [czech]

16. Ocbn

17. Benzonitrile, Chloro-

18. 1-chloro-2-cyanobenzene

19. Nsc 8438

20. Einecs 212-836-5

21. Wln: Ncr Bg

22. C8z5ne7qxj

23. Ec 212-836-5

24. 2-chlorobenzonitrile, 98%

25. 2-chlorobenzoic Acid Nitrile

26. Schembl73332

27. 2-chloranylbenzenecarbonitrile

28. Chembl3248211

29. Dtxcid2031166

30. Nsc8438

31. Amy18038

32. Str01137

33. Tox21_303775

34. Mfcd00001779

35. Akos003616763

36. Cs-w018317

37. Ps-4027

38. Ncgc00357067-01

39. Cas-873-32-5

40. Ns00009628

41. En300-18409

42. A842092

43. W-104032

44. Z57756581

45. F0020-1816

46. Inchi=1/c7h4cln/c8-7-4-2-1-3-6(7)5-9/h1-4

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₄ClN
Molecular Weight	137.56 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	23.8
Heavy Atom Count	9
Formal Charge	0
Complexity	135
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