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CAS 327-78-6 manufacturers and suppliers on PharmaCompass

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4chloro-3-trifluoromethylphenyl 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-trifluoromethylphenyl 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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LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...
LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.
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Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...
Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.
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Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutic...
Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutical Ingredients (APIs) and Intermediates. We also represent some well-known GMP factories in China for their sales and business development to global market. Most of the products have USDMF, EDMF, CEP, etc, and we have a professional regulatory affairs team who will provide you the documentation as per relative authority's requirement and accelerate your drug application process. Our product category includes Oncology, Anti-infective, Anti-diabetic, Prostaglandin, Immunosuppressant and Veterinary, etc.
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