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4-Chlorophenylacetic acid Structure

4-Chlorophenylacetic acid

Chemical Properties

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
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)
FDA UNII LLQ6PU28WR
NIST Chemistry Reference Acetic acid, p-chlorophenyl-(1878-66-6)
EPA Substance Registry System p-Chlorophenylacetic acid (1878-66-6)
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Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H312+H332-H315-H319
Precautionary statements P261-P264-P280-P302+P352+P312-P304+P340+P312-P305+P351+P338
Hazard Codes  Xn,Xi
Risk Statements  20/21-36/37/38
Safety Statements  36/37-24/25-36-26
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.
NFPA 704:
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