Riddhesh Pharmachem

CAS 401-99-0

Chemistry, 2 End Use API, 20 Related Intermediates

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Also known as: 401-99-0, 1,3-dinitro-5-(trifluoromethyl)benzene, Benzene, 1,3-dinitro-5-(trifluoromethyl)-, Alpha,alpha,alpha-trifluoro-3,5-dinitrotoluene, Chembl380842, Einecs 206-935-2

Molecular Formula

C₇H₃F₃N₂O₄

Molecular Weight

236.10 g/mol

InChI Key

QZADIXWDDVQVKM-UHFFFAOYSA-N

1 2D Structure

CAS 401-99-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-dinitro-5-(trifluoromethyl)benzene

2.1.2 InChI

InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H

2.1.3 InChI Key

QZADIXWDDVQVKM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 401-99-0

2. 1,3-dinitro-5-(trifluoromethyl)benzene

3. Benzene, 1,3-dinitro-5-(trifluoromethyl)-

4. Alpha,alpha,alpha-trifluoro-3,5-dinitrotoluene

5. Chembl380842

6. Einecs 206-935-2

7. Mfcd00007233

8. Ai3-28908

9. 3,5-dinitro-benzotrifluoride

10. Schembl1005841

11. Dtxsid40193142

12. 3,5-dinitrobenzotrifluoride, 99%

13. Zinc2166808

14. 3,5-?dinitrobenzotrifluoride, 98%

15. Bdbm50182126

16. Akos001022943

17. 1,3-dinitro-5-trifluoromethyl-benzene

18. Ac-2899

19. Ps-10451

20. Am20060919

21. D2699

22. Ft-0614719

23. 3,5-dinitro-alpha,alpha,alpha-trifluorotoluene

24. W-106379

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₃F₃N₂O₄
Molecular Weight	236.10 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	236.00449107 g/mol
Monoisotopic Mass	236.00449107 g/mol
Topological Polar Surface Area	91.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

55314-16-4

End Use API

Riddhesh Pharmachem is a contract research and contract manufacturer from India. It has developed a servi...

Riddhesh Pharmachem is a contract research and contract manufacturer from India. It has developed a service-oriented system that has allowed it to become a leading manufacturer and supplier of raw materials for Pharmaceutical and Chemical companies globally and regionally. During a very successful period of business incubation within the Group, Riddhesh Pharmachem has developed its substantial sector-specific expertise and established its reputation. The business has moved into the global market and integrated into worldwide manufacturers and suppliers which are looking to contract manufacturers or suppliers from India.

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