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2-(4-Chlorophenyl)-3-methylbutyric acid Structure

2-(4-Chlorophenyl)-3-methylbutyric acid

Chemical Properties

Melting point 87-91 °C(lit.)
Boiling point 318.7±17.0 °C(Predicted)
Density  1.184±0.06 g/cm3(Predicted)
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (slightly), DMSO (Slightly)
form  powder to crystal
pka 4.13±0.10(Predicted)
color  White to Orange to Green
InChI 1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)
InChIKey VTJMSIIXXKNIDJ-UHFFFAOYSA-N
SMILES CC(C)C(C(O)=O)c1ccc(Cl)cc1
CAS DataBase Reference 2012-74-0(CAS DataBase Reference)
EPA Substance Registry System Benzeneacetic acid, 4-chloro-.alpha.-(1-methylethyl)- (2012-74-0)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  ES8450000
TSCA  TSCA listed
HS Code  2916399090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

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