CHEMBRDG-BB 5976483 Structure

CHEMBRDG-BB 5976483

Chemical Properties

Boiling point 474.091±30.00 °C(Press: 760.00 Torr)(predicted)
Density  1.302±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka 4.557±0.10(predicted)
form  solid
InChI 1S/C16H13ClO3/c17-15-4-2-1-3-13(15)11-20-14-8-5-12(6-9-14)7-10-16(18)19/h1-10H,11H2,(H,18,19)/b10-7+
InChIKey GAPYHVXKEHLZQP-JXMROGBWSA-N
SMILES Clc1c(cccc1)COc2ccc(cc2)\C=C\C(=O)O
UNSPSC Code 12352106
NACRES NA.21

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Hazard Codes  Xn
Risk Statements  22
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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