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4-Biphenylacetic acid Structure

4-Biphenylacetic acid

Chemical Properties

Melting point 159-160 °C (lit.)
Boiling point 312.08°C (rough estimate)
Density  1.1035 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  2-8°C
solubility  DMSO: soluble50mg/mL, clear, colorless to yellow
pka 4.29±0.10(Predicted)
form  Powder
color  Beige
Water Solubility  39.27mg/L(25 ºC)
Merck  14,3316
BRN  1211592
InChI InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKey QRZAKQDHEVVFRX-UHFFFAOYSA-N
SMILES C1(C2=CC=CC=C2)=CC=C(CC(O)=O)C=C1
CAS DataBase Reference 5728-52-9(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 94WNJ5U8L7
ATC code M02AA08

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H301+H331-H315-H319-H335
Precautionary statements P261-P264-P301+P310-P302+P352-P304+P340+P311-P305+P351+P338
Hazard Codes  T,Xn
Risk Statements  23/25-36/37/38-25-36/37/38/63-20/21/22
Safety Statements  26-36/37/39-45-37/39-28A-26/36/3745/60-20-36
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  DU8229050
Hazard Note  Irritant
HazardClass  6.1
PackingGroup  III
HS Code  29163900
Toxicity LD50 orally in rats: 164 mg/kg (Sloboda, Osterberg)
NFPA 704:
0
3 0

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