Name: Name:5-Fluoro-2-(trifluoromethyl)benzonitrile
Brand: AABLOCKS
SKU: AA003MNS
Rating: 90 (10 reviews)

Catalog No.: AA003MNS

240800-45-7 | 5-Fluoro-2-(trifluoromethyl)benzonitrile

Pack Size： 5g

Purity： 95%

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Technical Information

Catalog Number: AA003MNS

Chemical Name: 5-Fluoro-2-(trifluoromethyl)benzonitrile

CAS Number: 240800-45-7

Molecular Formula: C8H3F4N

Molecular Weight: 189.1097

MDL Number: MFCD00236281

SMILES: N#Cc1cc(F)ccc1C(F)(F)F

Properties

BP: 196.4°C at 760 mmHg

Form: Solid

MP: 150-155°C

Storage: Keep in dry area;Room Temperature;

Complexity: 226

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.6

Downstream Synthesis Route

240800-45-7

354814-19-0

[1]Patent:WO2016/144792,2016,A1.Locationinpatent:Paragraph00451;00452;00453

[2]Patent:WO2009/58919,2009,A1.Locationinpatent:Page/Pagecolumn39

[3]JournalofMedicinalChemistry,2019

[4]Patent:WO2012/4604,2012,A1.Locationinpatent:Page/Pagecolumn64

240800-45-7

1354947-86-6

[1]Patent:WO2012/4604,2012,A1

240800-45-7

1354947-88-8

[1]Patent:WO2012/4604,2012,A1

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1354947-90-2

[1]Patent:WO2012/4604,2012,A1

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1354947-92-4

[1]Patent:WO2012/4604,2012,A1

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