261952-01-6

Name 4-Methyl-3-(trifluoromethyl)benzoic acid
CAS 261952-01-6
Molecular Formula C9H7F3O2
MDL Number MFCD01631592
Molecular Weight 204.15
MOL File 261952-01-6.mol
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Chemical Properties

Melting point  182-186°C
Boiling point  268.6±40.0 °C(Predicted)
density  1.345±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  powder to crystal
pka 3.94±0.10(Predicted)
color  White to Almost white
InChI InChI=1S/C9H7F3O2/c1-5-2-3-6(8(13)14)4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKey CAPKAYDTKWGFQB-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1
CAS DataBase Reference 261952-01-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi,T+
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R26/27/28:Very Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29163100

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