900-91-4

Name 3,3,3-Triphenylpropionic acid
CAS 900-91-4
Molecular Formula C21H18O2
MDL Number MFCD00002713
Molecular Weight 302.37
MOL File 900-91-4.mol
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Chemical Properties

Appearance WHITE TO SLIGHTLY YELLOW CRYSTALLINE POWDER
Melting point  180-182 °C (lit.)
Boiling point  433.6±14.0 °C(Predicted)
density  1.161±0.06 g/cm3(Predicted)
vapor density  10.1 (vs air)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 4.25±0.10(Predicted)
color  White to Orange to Green
BRN  2057448
InChI InChI=1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
InChIKey XMSJLUKCGWQAHO-UHFFFAOYSA-N
SMILES C(CC(=O)O)(C1=CC=CC=C1)(C1C=CC=CC=1)C1C=CC=CC=1
CAS DataBase Reference 900-91-4(CAS DataBase Reference)
NIST Chemistry Reference 3,3,3-Triphenylpropionic acid(900-91-4)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29163990

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