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5728-52-9

Name 4-Biphenylacetic acid
CAS 5728-52-9
EINECS(EC#) 227-233-2
Molecular Formula C14H12O2
MDL Number MFCD00004351
Molecular Weight 212.24
MOL File 5728-52-9.mol

Chemical Properties

Appearance Off-white powder
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
form  Powder
pka 4.29±0.10(Predicted)
color  Beige
Water Solubility  39.27mg/L(25 ºC)
Detection Methods T,NMR
Merck  14,3951
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)

Safety Data

Hazard Codes  T,Xn
Risk Statements 
R23/25:Toxic by inhalation and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R25:Toxic if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
S20:When using, do not eat or drink .
S36:Wear suitable protective clothing .
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)

Hazard Information

Material Safety Data Sheet(MSDS)

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