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Also known as: 143782-23-4, 4-cyano-3-(trifluoromethyl)phenyl isothiocyanate, Benzonitrile, 4-isothiocyanato-2-(trifluoromethyl)-, Enzalutamide impurity 2, 4-cyano-3-(trifluoromethyl)phenylisothiocyanate, Mfcd09800709
Molecular Formula
C9H3F3N2S
Molecular Weight
228.20  g/mol
InChI Key
TYXKOMAQTWRDCR-UHFFFAOYSA-N
FDA UNII
HP6388MX6K

CAS 143782-23-4
1 2D Structure

CAS 143782-23-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-isothiocyanato-2-(trifluoromethyl)benzonitrile
2.1.2 InChI
InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H
2.1.3 InChI Key
TYXKOMAQTWRDCR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1N=C=S)C(F)(F)F)C#N
2.2 Other Identifiers
2.2.1 UNII
HP6388MX6K
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 143782-23-4

2. 4-cyano-3-(trifluoromethyl)phenyl Isothiocyanate

3. Benzonitrile, 4-isothiocyanato-2-(trifluoromethyl)-

4. Enzalutamide Impurity 2

5. 4-cyano-3-(trifluoromethyl)phenylisothiocyanate

6. Mfcd09800709

7. Hp6388mx6k

8. 4-cyano-3-trifluoromethylphenylisothiocyanate

9. 4-isothiocyanato-2-trifluoromethylbenzonitrile

10. Enzalutamide Its-1

11. Ec 700-928-2

12. Unii-hp6388mx6k

13. Schembl189787

14. Dtxsid80932097

15. Amy36836

16. Cs-m0346

17. Zinc31829459

18. Akos014821555

19. Ac-31313

20. As-10208

21. Da-39262

22. Sy039781

23. I0987

24. 4-isothiocyanato-2-trifluoromethyl Benzonitrile

25. 4-isothiocyanato-2-trifluoromethyl-benzonitrile

26. 2-(trifluoromethyl)-4-isothiocyanatobenzonitrile

27. 3-(trifluoromethyl)-4-cyanophenyl Isothiocyanate

28. 4-isothiocyanato 2-(triflouromethyl)-benzonitrile

29. A850064

30. Isothiocyanic Acid 4-cyano-3-(trifluoromethyl)phenyl Ester

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 228.20 g/mol
Molecular Formula C9H3F3N2S
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass227.99690376 g/mol
Monoisotopic Mass227.99690376 g/mol
Topological Polar Surface Area68.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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01

Bio-Europe Autumn
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4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

CAS Number : 143782-23-4

End Use API :

About the Company : Arde’s Laboratories Pvt Ltd. is a specialty pharmaceutical company that is engaged in the development, manufacture and marketing of generic pharmaceutical drugs. Arde’s is built by ...

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02

Bio-Europe Autumn
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Bio-Europe Autumn
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4-Isothiocyanato-2-(Trifluoromethyl)Benzonitrile

CAS Number : 143782-23-4

End Use API :

About the Company : Cubane Pharmaceuticals is a science-led company engaged in the manufacturing of Pharmaceutical intermediates. Led by zealous youth, we are building on a 50-year bouquet of rich familial...

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03

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Bio-Europe Autumn
Not Confirmed

Isothiocyanato-2- (trifluoromethyl)benzonitrile

CAS Number : 143782-23-4

End Use API :

About the Company : Haohong (Qihe) Pharmaceutical Technology Co., Ltd., based in Qihe, Shandong, specializes in the R\&D and custom production of innovative APIs and intermediates. ISO 9001:2015 certified,...

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04

Bio-Europe Autumn
Not Confirmed
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Bio-Europe Autumn
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4-Bromo-2-fluoro-N-methylbenzamide

CAS Number : 749927-69-3

End Use API :

About the Company : 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 ...

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05

Bio-Europe Autumn
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Omshri Labs

India
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4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

CAS Number : 143782-23-4

End Use API :

About the Company : Omshri Labs is a privately held specialty chemicals company with corporate headquarters in Indore, Madhya Pradesh. Our company is a leader in chemical technology for Active Pharmaceutic...

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06

Bio-Europe Autumn
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Bio-Europe Autumn
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4-isothiocyanato-2-(trifluoromethyl)benzonitrile

CAS Number : 143782-23-4

End Use API :

About the Company : Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredie...

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07

Bio-Europe Autumn
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Royal Pharma

India
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Bio-Europe Autumn
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4-Isothiocyanato-2-TrifluoromethylBenzonitrile

CAS Number : 143782-23-4

End Use API :

About the Company : Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. Facilities are in accordance to GMP standards. Currently working with Indian Mult...

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08

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isothiocyanato-2-(trifluoroMethyl)benzonitrile

CAS Number : 143782-23-4

End Use API :

About the Company : We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-q...

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09

Bio-Europe Autumn
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SS Pharma

India
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Bio-Europe Autumn
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4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

CAS Number : 143782-23-4

End Use API :

About the Company : SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well a...

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