477-85-0

Name Obtusifolin
CAS 477-85-0
EINECS(EC#) 805-819-4
Molecular Formula C16H12O5
MDL Number MFCD18452296
Molecular Weight 284.26
MOL File 477-85-0.mol

Chemical Properties

Melting point  242-243℃
Boiling point  528.0±50.0 °C(Predicted)
density  1.448±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  2-8°C
solubility  DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2) (1:7): 0.12 mg/ml
form  A solid
pka 6.60±0.20(Predicted)
color  Yellow to orange
InChI 1S/C16H12O5/c1-7-6-9-12(16(21-2)13(7)18)15(20)11-8(14(9)19)4-3-5-10(11)17/h3-6,17-18H,1-2H3
InChIKey NYRXUBDGDSRBGB-UHFFFAOYSA-N
SMILES OC1=C(C(C(C(OC)=C(O)C(C)=C2)=C2C3=O)=O)C3=CC=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312+P330-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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