2-(Trifluoromethyl)benzoic acid

Details:

2-(Trifluoromethyl)benzoic acid Chemical Properties
Melting point     107-110 °C(lit.)
Boiling point     247 °C753 mm Hg(lit.)
density     3.375 g/mL at 25 °C(lit.)
Fp     247-254°C
storage temp.     Sealed in dry,Room Temperature
pka    3.20±0.36(Predicted)
form     Crystalline Powder
color     Slightly yellow to yellow-brown
Water Solubility     4.8g/L(25 ºC)
BRN     976984
InChIKey    FBRJYBGLCHWYOE-UHFFFAOYSA-N
CAS DataBase Reference    433-97-6(CAS DataBase Reference)
NIST Chemistry Reference    «alpha»,«alpha»,«alpha»-Trifluoro-o-toluic acid(433-97-6)
EPA Substance Registry System    Benzoic acid, 2-(trifluoromethyl)- (433-97-6)
Safety Information
Hazard Codes     Xn,N,Xi
Risk Statements     20/22-51/53-36/37/38
Safety Statements     61-36-26
RIDADR     UN 1549 6.1/PG 3
WGK Germany     2
F     1-10
Hazard Note     Irritant
HazardClass     IRRITANT
HS Code     29163990
MSDS Information
Provider    Language
alpha,alpha,alpha-Trifluoro-o-toluic acid    English
SigmaAldrich    English
ACROS    English
ALFA    English
2-(Trifluoromethyl)benzoic acid Usage And Synthesis
Uses    2-(Trifluoromethyl)benzoic Acid is used in biochemical genetics studies such as Plasmid-encoded phthalate catabolic pathway in Arthrobacter keyseri 12B.
Chemical Properties    slightly yellow to yellow-brown crystalline powder
Definition    ChEBI: A benzoic acid carrying a trifluoromethyl substituent at the 2-position.
2-(Trifluoromethyl)benzoic acid Preparation Products And Raw materials
Raw materials    Magnesium-->CARBON DIOXIDE-->2-Chlorobenzotrifluoride-->2-(trifluoromethyl)benzoyl fluoride-->BUTYLDIPHENYLPHOSPHINE-->1-(Trimethylsilyl)-2-(trifluoromethyl)benzene-->2-Iodobenzotrifluoride-->5,5-dimethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborinane
Preparation Products    FLUTOLANIL-->4-NITRO-2-(TRIFLUOROMETHYL)BENZOIC ACID-->2-(Trifluoromethyl)benzoyl chloride-->NIH-12848-->Methyl 2-(trifluoromethyl)benzoate-->2-(Trifluoromethyl)benzyl alcohol