1014-81-9

Name 3-(Trifluoromethoxy)benzoic acid
CAS 1014-81-9
EINECS(EC#) 213-802-2
Molecular Formula C8H5F3O3
MDL Number MFCD00041501
Molecular Weight 206.12
MOL File 1014-81-9.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  89-92 °C (lit.)
Boiling point  203°C (rough estimate)
density  1.4251 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  Powder
pka 3.82±0.10(Predicted)
color  White
BRN  2579574
InChI InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChIKey OKPFIWIMBJNFSE-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(OC(F)(F)F)=C1
CAS DataBase Reference 1014-81-9(CAS DataBase Reference)
NIST Chemistry Reference M-trifluoromethoxybenzoic acid(1014-81-9)

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 .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29189900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Material Safety Data Sheet(MSDS)

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