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Overview of CAS 327-78-6

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4chloro-3-(trifluoromethyl)phenyl isocyanate
PharmaCompass
4chloro-3-(trifluoromethyl)phenyl isocyanate
Also known as: 4-chloro-3-(trifluoromethyl)phenyl isocyanate, 327-78-6, 4-chloro-3-(trifluoromethyl)phenylisocyanate, Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-, Nbjzeuqtglsuob-uhfffaoysa-n, 4-chloro-3-trifluoromethylphenyl isocyanate
Molecular Formula
C8H3ClF3NO
Molecular Weight
221.563  g/mol
InChI Key
NBJZEUQTGLSUOB-UHFFFAOYSA-N

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4-chloro-3-(trifluoromethyl)phenyl Isocyanate

2. 327-78-6

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

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

5. Nbjzeuqtglsuob-uhfffaoysa-n

6. 4-chloro-3-trifluoromethylphenyl Isocyanate

7. Sbb048895

8. 4-chloro-3-(trifluoromethoxy)phenyl Isocyanate

9. 1-chloro-4-isocyanato-2-trifluoromethyl-benzene

10. 4-chloro-3-(trifluoromethyl)benzenisocyanate

11. 3-trifluoromethyl-4-chloro-phenyl Isocyanate

12. Pubchem5027

13. Ac1mbyhm

14. Ac1q4ing

15. G00036-watson-in

16. Ec 608-783-6

17. Schembl58303

18. 1-chloro-4-isocyanato-2-(trifluoromethyl) Benzene

19. Ksc496q0p

20. 4-chloro-3- Phenylisocyanate

21. Intermediate Of The Tandutinib

22. Ctk3j6807

23. Dtxsid70369818

24. Molport-000-141-446

25. Zinc152294

26. Act13191

27. Albb-007573

28. Cs-m2757

29. Ebd32644

30. Ks-000001nw

31. Anw-27439

32. Geo-00821

33. Mfcd00013874

34. Stk504633

35. Akos005063704

36. Am83172

37. An-6179

38. As00719

39. As04362

40. Cm13765

41. Ls00145

42. Rp05205

43. Rtr-013755

44. Tra0040838

45. 4-chloro-3-trifluoromethyphenylisocyanate

46. 3-trifluoromethyl-4-chlorophenylisocyanate

47. 4-chloro-3-trifluoromethylphenylisocyanate

48. 4chloro-3-trifluoromethylphenyl Isocyanate

49. As-18998

50. Bp-12634

51. Kb-37853

52. Or027241

53. Or167714

54. Sc-03494

55. Zb005148

56. 3-trifluoromethyl- 4-chlorophenylisocyanate

57. 3-trifluoromethyl-4-chloro-phenylisocyanate

58. 3-trifluoromethyl-4-chlorophenyl Isocyanate

59. 3-trifluoromethyl-4-chlorophenyl-isocyanate

60. 4-chloro-3-(trifloromethyl)phenyl Isocynate

61. 4-chloro-3-trifluoromethyl-phenylisocyanate

62. 4-chloro-3-trifluoromethylphenyl-isocyanate

63. 4-choro-3-trifluoromethyl-phenyl Isocyanate

64. Ab0031101

65. Ab1004062

66. Tr-013755

67. 4-chloro-3-(trifluoromethyl)phenyl Isocynate

68. 4-chloro-3-trifluoromethyl-phenyl Isocyanate

69. 4-chloro-a,a,a-trifluoro-m-tolyl Isocyanate

70. 4chloro-3-(trifluoromethyl)phenyl Isocyanate

71. Bb 0260736

72. Ft-0083560

73. Ft-0602816

74. St50825723

75. X4033

76. 3-(trifluoromethyl)-4-chlorophenyl Isocyanate

77. 4-chloro-3-(trifluoromethyl)-phenylisocyanate

78. 4-chloro-3-(trifluoromethyl)isocyanatobenzene

79. 4-chloro-3-(trifluoromethyl)phenyli Socyanate

80. 4-chloro-3-(trifluoromethyl)-phenyl Isocyanate

81. M-1947

82. 1-chloro-4-isocyanato-2-(trifluoromethyl)-benzene

83. A821408

84. 1-chloranyl-4-isocyanato-2-(trifluoromethyl)benzene

85. 4-chloro-3-(trifluoromethyl)phenyl Isocyanate, 98%

86. I01-4515

87. W-200306

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

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 221.563 g/mol
Molecular Formula C8H3ClF3NO
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass220.986 g/mol
Monoisotopic Mass220.986 g/mol
Topological Polar Surface Area29.4 A^2
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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