3-CYANO-4-FLUOROBENZOIC ACID

CAS No.
171050-06-9
CCD No.
CCD00357844
Formula
C8 H4 F N O2
MolWeight
165.123

Basic Information

Product Name: 3-CYANO-4-FLUOROBENZOIC ACID
CAS: 171050-06-9
English Synonyms: 3-CYANO-4-FLUOROBENZOIC ACID ; BENZOIC ACID, 3-CYANO-4-FLUORO- ; 4-FLUORO-3-CYANOBENZOIC ACID
MDL Number.: MFCD03094339
H bond acceptor: 3
H bond donor: 1
Smile: c1cc(c(cc1C(=O)O)C#N)F
InChi: InChI=1S/C8H4FNO2/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H,11,12)
InChiKey: InChIKey=JMHGATOBRPWPBZ-UHFFFAOYSA-N

Property

Boiling Point: MP: 187-188 DEG C
Comments: ORIGINAL SKU: CDS010734-250MG
OTHER NOTES: PLEASE NOTE THAT SIGMA-ALDRICH DOES NOT COLLECT ANALYTICAL DATA FOR ALDRICHCPR PRODUCTS AND THAT ALL SALES ARE FINAL.ALL ALDRICHCPR PRODUCTS, AND OTHER BUILDING BLOCKS OR SCREENING COMPOUNDS THAT ARE PART OF THIS COLLECTION, ARE ALSO AVAILABLE AS CUSTOM PACKAGED LIBRARIES-FOR MORE DETAILS ABOUT THIS SERVICE OR FOR FURTHER INFORMATION ON THIS PRODUCT, PLEASE CONTACT US AT ALDRICHCPR AT SIAL.COM

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H302
hazard symbol: Xn
Risk Code: R:22
WGK Germany: 3

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