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5162-82-3

Name 3-Chloro-4-methylbenzoic acid
CAS 5162-82-3
Molecular Formula C8H7ClO2
MDL Number MFCD00045841
Molecular Weight 170.59
MOL File 5162-82-3.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  208 °C
Boiling point  105-107 °C(Press: 6.5 Torr)
density  1.310±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Sparingly), Methanol (Slightly)
form  Solid
pka 4.00±0.10(Predicted)
color  White to Off-White
InChI InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey SDKUOEOJAXGCLU-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(C)C(Cl)=C1
CAS DataBase Reference 5162-82-3(CAS DataBase Reference)
NIST Chemistry Reference P-toluic acid, 3-chloro-(5162-82-3)

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 .
S37/39:Wear suitable gloves and eye/face protection .
RTECS  XU1650000
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  2916399090

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