313-12-2

Name 2-AMINO-3-(TRIFLUOROMETHYL)BENZOIC ACID
CAS 313-12-2
EINECS(EC#) 625-821-7
Molecular Formula C8H6F3NO2
MDL Number MFCD00274210
Molecular Weight 205.13
MOL File 313-12-2.mol
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Chemical Properties

Melting point  157-160 °C (lit.)
Boiling point  296.9±40.0 °C(Predicted)
density  1.489±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
form  solid
pka 4.51±0.10(Predicted)
Appearance Light yellow to yellow Solid
BRN  2844022
Major Application peptide synthesis
InChI 1S/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)
InChIKey UNLVJVQEDSDPIN-UHFFFAOYSA-N
SMILES Nc1c(cccc1C(F)(F)F)C(O)=O
CAS DataBase Reference 313-12-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
Hazard Note  Irritant
HS Code  29224999
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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