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130783-02-7

Name 3,5-Bis(trifluoromethyl)benzenethiol
CAS 130783-02-7
Molecular Formula C8H4F6S
MDL Number MFCD00042273
Molecular Weight 246.17
MOL File 130783-02-7.mol
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Chemical Properties

Appearance clear colorless to slightly yellow liquid
Melting point  71 °C
Boiling point  167 °C (lit.)
density  1.46 g/mL at 25 °C(lit.)
refractive index  n20/D 1.442(lit.)
Fp  150 °F
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
form  powder to lump to clear liquid
pka 4.90±0.11(Predicted)
color  White or Colorless to Light yellow
Water Solubility  Insoluble in water but soluble in alcohol and ether.
Sensitive  Air Sensitive
InChI 1S/C8H4F6S/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H
InChIKey KCAQWPZIMLLEAF-UHFFFAOYSA-N
SMILES FC(F)(F)c1cc(S)cc(c1)C(F)(F)F
CAS DataBase Reference 130783-02-7(CAS DataBase Reference)
NIST Chemistry Reference 3,5-Bis(trifluoromethyl)thiophenol(130783-02-7)

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 .
RIDADR  UN 3334
WGK Germany  3
Hazard Note  Irritant
HazardClass  6.1
HazardClass  IRRITANT, AIR SENSITIVE, STENCH
HS Code  29309090
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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