CAS 771-69-7

Chemistry, 5 End Use API, 3 Related Intermediates

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Also known as: 771-69-7, 2,3,4-trifluoronitrobenzene, 2,3,4-trifluoro-1-nitrobenzene, 4-nitro-1,2,3-trifluorobenzene, Benzene, 1,2,3-trifluoro-4-nitro-, Trifluoronitrobenzene

Molecular Formula

C₆H₂F₃NO₂

Molecular Weight

177.08 g/mol

InChI Key

ARCACZWMYGILNI-UHFFFAOYSA-N

FDA UNII

NKN86LZ8MM

1 2D Structure

CAS 771-69-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2,3-trifluoro-4-nitrobenzene

2.1.2 InChI

InChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

2.1.3 InChI Key

ARCACZWMYGILNI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

NKN86LZ8MM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 771-69-7

2. 2,3,4-trifluoronitrobenzene

3. 2,3,4-trifluoro-1-nitrobenzene

4. 4-nitro-1,2,3-trifluorobenzene

5. Benzene, 1,2,3-trifluoro-4-nitro-

6. Trifluoronitrobenzene

7. Nkn86lz8mm

8. Mfcd00041546

9. 2,3,4-trifluornitrobenzene

10. 1,2,3-trifluoro-4-nitro-benzene

11. Einecs 212-238-4

12. Unii-nkn86lz8mm

13. 1,2,3-trifluoronitrobenzene

14. Schembl57498

15. 2,3,4-trifluoro Nitrobenzene

16. 2,3,4-trifluoro-nitrobenzene

17. 2,3, 4-trifluoronitrobenzene

18. Arcaczwmygilni-uhfffaoysa-

19. Amy8658

20. Dtxsid30227889

21. Act00414

22. Zinc1845704

23. 2,3,4-trifluoronitrobenzene, 99%

24. Akos006221877

25. Ab01876

26. Cs-w005136

27. Ac-10203

28. As-12427

29. Db-019659

30. A9773

31. Ft-0609387

32. T1539

33. En300-64158

34. W-104327

35. 1,2,3-trifluoro-4-nitrobenzene;4-nitro-1,2,3-trifluorobenzene

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₂F₃NO₂
Molecular Weight	177.08 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	177.00376279 g/mol
Monoisotopic Mass	177.00376279 g/mol
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	184
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

771-69-7

Intermediate Name

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:20...

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, environment consciousness, a rich history of innovation through research, and a total commitment to excellence in quality and customer satisfaction. ARIL is a manufacturer of Specialty Chemicals, with products catering to a plethora of market segments such as Pharmaceuticals, Agrochemicals, Pigments, Dyestuff, Material Sciences and Human Care. Our vision is to exploit to the maximum the potential of our extensive infrastructure and knowledge base, and then go beyond these to explore new horizons. Our objective is to grow exponentially in a multi-faceted manner through our chemistry, our technology and most importantly, through our customer support. ARIL thrives on its strong Research & Development and we have introduced numerous products for the first time in India. Many products have been introduced on an exclusive basis for our customers, for which we have entered into exclusivity agreements.

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