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1878-66-6

Name 4-Chlorophenylacetic acid
CAS 1878-66-6
EINECS(EC#) 217-521-6
Molecular Formula C8H7ClO2
MDL Number MFCD00004344
Molecular Weight 170.59
MOL File 1878-66-6.mol
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Chemical Properties

Appearance white to cream colored powder
Melting point  102-105 °C(lit.)
Boiling point  241.44°C (rough estimate)
density  1.2315 (rough estimate)
refractive index  1.5660 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  ethanol: soluble100mg/mL, clear, faintly yellow
form  Powder
pka 4.19(at 25℃)
color  White to cream
PH 2.5-3 (100g/l, H2O, 20℃)suspension
Detection Methods T,NMR
BRN  1072816
InChI InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey CDPKJZJVTHSESZ-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC=C(Cl)C=C1
CAS DataBase Reference 1878-66-6(CAS DataBase Reference)
NIST Chemistry Reference Acetic acid, p-chlorophenyl-(1878-66-6)
EPA Substance Registry System 1878-66-6(EPA Substance)
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Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R20/21:Harmful by inhalation and in contact with skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
RTECS  AG0590000
F  13
TSCA  Yes
HS Code  29163900
Toxicity
mouse,LD50,intraperitoneal,1350mg/kg (1350mg/kg),Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958.

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