58086-67-2

Name 2-FLUORO-1-METHYLPYRIDINIUM P-TOLUENESULFONATE
CAS 58086-67-2
EINECS(EC#) 261-108-3
Molecular Formula C13H14FNO3S
MDL Number MFCD00011983
Molecular Weight 283.32
MOL File 58086-67-2.mol
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Chemical Properties

Melting point  130-134 °C(lit.)
storage temp.  Store at 2-8
solubility  Acetonitrile (Sparingly), Methanol (Slightly)
form  Solid
color  White to Off-White
Water Solubility  Soluble in water (hydrolyzes), DMSO, dichloromethane, and acetonitrile.
Sensitive  Moisture Sensitive
BRN  4345357
Stability: Moisture sensitive
InChI InChI=1S/C7H8O3S.C6H7FN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1
InChIKey HQWDKLAIDBOLFE-UHFFFAOYSA-M
SMILES C1(S(=O)([O-])=O)C=CC(C)=CC=1.C1(F)C=CC=C[N+]=1C
CAS DataBase Reference 58086-67-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
F  3-10-21
Hazard Note  Irritant
HS Code  29333990

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