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CAS 327-78-6 manufacturers and suppliers on PharmaCompass

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4chloro-3-(trifluoromethyl)phenyl isocyanate
Also known as: 327-78-6, 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene, 4-chloro-3-(trifluoromethyl)phenylisocyanate, Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-, 1-chloro-4-isocyanato-2-(trifluoromethyl) benzene, 4-chloro-3-trifluoromethylphenyl isocyanate
Molecular Formula
C8H3ClF3NO
Molecular Weight
221.56  g/mol
InChI Key
NBJZEUQTGLSUOB-UHFFFAOYSA-N
FDA UNII
6TE36JKP7L

1 2D Structure

4chloro-3-(trifluoromethyl)phenyl isocyanate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
2.1.2 InChI
InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
2.1.3 InChI Key
NBJZEUQTGLSUOB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl
2.2 Other Identifiers
2.2.1 UNII
6TE36JKP7L
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 327-78-6

2. 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene

3. 4-chloro-3-(trifluoromethyl)phenylisocyanate

4. Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-

5. 1-chloro-4-isocyanato-2-(trifluoromethyl) Benzene

6. 4-chloro-3-trifluoromethylphenyl Isocyanate

7. Mfcd00013874

8. 1-chloro-4-isocyanato-2-trifluoromethyl-benzene

9. Thyl-benzene

10. 4-chloro-3-(trifluoromethoxy)phenyl Isocyanate

11. Ec 608-783-6

12. 6te36jkp7l

13. Schembl58303

14. Dtxsid70369818

15. Zinc152294

16. Act13191

17. Albb-007573

18. Bcp02638

19. Cs-m2757

20. 1-chloro-4-isocyanato-2-trifluorome

21. Geo-00821

22. Stk504633

23. Akos005063704

24. Am83172

25. 4-chloro-3-trifluoromethyphenylisocyanate

26. 3-trifluoromethyl-4-chlorophenylisocyanate

27. 4-chloro-3-trifluoromethylphenylisocyanate

28. 4chloro-3-trifluoromethylphenyl Isocyanate

29. As-18998

30. Bp-12634

31. Sy013445

32. 3-trifluoromethyl- 4-chlorophenylisocyanate

33. 3-trifluoromethyl-4-chloro-phenylisocyanate

34. 3-trifluoromethyl-4-chlorophenyl Isocyanate

35. 3-trifluoromethyl-4-chlorophenyl-isocyanate

36. 4-chloro-3-(trifloromethyl)phenyl Isocynate

37. 4-chloro-3-trifluoromethyl-phenylisocyanate

38. 4-chloro-3-trifluoromethylphenyl-isocyanate

39. 4-choro-3-trifluoromethyl-phenyl Isocyanate

40. 4-chloro-3-(trifluoromethyl)phenyl Isocynate

41. 4-chloro-3-trifluoromethyl-phenyl Isocyanate

42. 4-chloro-a,a,a-trifluoro-m-tolyl Isocyanate

43. 4chloro-3-(trifluoromethyl)phenyl Isocyanate

44. Bb 0260736

45. Ft-0602816

46. 3-(trifluoromethyl)-4-chlorophenyl Isocyanate

47. 4-chloro-3-(trifluoromethyl)-phenylisocyanate

48. 4-chloro-3-(trifluoromethyl)isocyanatobenzene

49. 4-chloro-3-(trifluoromethyl)phenyli Socyanate

50. 4-chloro-3-(trifluoromethyl)-phenyl Isocyanate

51. 1-chloro-4-isocyanato-2-(trifluoromethyl)-benzene

52. A821408

53. 1-chloranyl-4-isocyanato-2-(trifluoromethyl)benzene

54. 4-chloro-3-(trifluoromethyl)phenyl Isocyanate, 98%

55. W-200306

56. Isocyanic Acid 4-chloro-3-(trifluoromethyl)phenyl Ester

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 221.56 g/mol
Molecular Formula C8H3ClF3NO
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass220.9855259 g/mol
Monoisotopic Mass220.9855259 g/mol
Topological Polar Surface Area29.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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