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Also known as: 158401-00-4, 3',4',5'-trichloro-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethan-1-one, Mfcd25460357, Ethanone, 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)-, C8h2cl3f3o
Molecular Formula
C8H2Cl3F3O
Molecular Weight
277.4  g/mol
InChI Key
NVMZCQYOSPFJLE-UHFFFAOYSA-N

CAS No 158401-00-4
1 2D Structure

CAS No 158401-00-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethanone
2.1.2 InChI
InChI=1S/C8H2Cl3F3O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H
2.1.3 InChI Key
NVMZCQYOSPFJLE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C(=C1Cl)Cl)Cl)C(=O)C(F)(F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 158401-00-4

2. 3',4',5'-trichloro-2,2,2-trifluoroacetophenone

3. 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethan-1-one

4. Mfcd25460357

5. Ethanone, 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)-

6. C8h2cl3f3o

7. Schembl113432

8. Dtxsid30728760

9. Akos022171776

10. Cs-w006459

11. Ds-5371

12. Sy113843

13. Db-226748

14. A883436

15. 3',4',5'-trichloro-2,2,2,-trifluoroacetophenone

16. 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)-ethanone

17. 2,2,2-trifluoro-1-(3,4,5-trichloro-phenyl)-ethanone

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 277.4 g/mol
Molecular Formula C8H2Cl3F3O
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area17.1
Heavy Atom Count15
Formal Charge0
Complexity244
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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Virtual BoothChina's leading API and intermediate manufacturer, offering CMO/CDMO services and exports to 70+ countries, enhancing global health.

2,2,2-trifluoro-1-(3,4,5- trichlorophenyl)ethanone

CAS Number : 158401-00-4

End Use API :

About the Company : Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. specializes in R&D and production of APIs and advanced intermediates, CDMO/CRO/OEM, and Technology Transfer of Finished Formulations....

Shandong Chenghui Shuangda Pharmaceutical

02

Antibody Engineering
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Rampex Labs

India
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2,2,2-Trifluoro-1-(3,4,5-Trichlorophenyl) Ethanone

CAS Number : 158401-00-4

End Use API :

About the Company : We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Hyderabad, India. Our company was founded in 2004 with commercial operations st...

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SS Pharma

India
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Antibody Engineering
Not Confirmed

2,2,2-Trifluoro-1-(3,4,5-trichlorophenyl)ethanone

CAS Number : 158401-00-4

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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