2-Bromoisovanillin Structure

2-Bromoisovanillin

Chemical Properties

Melting point 98-100°C
Boiling point 320.8±37.0 °C(Predicted)
Density  1.653±0.06 g/cm3(Predicted)
vapor pressure  0-0.001Pa at 25-60℃
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  Solid:particulate/powder
pka 8.69±0.23(Predicted)
color  White to Light yellow
BRN  1942858
InChI InChI=1S/C8H7BrO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-4,11H,1H3
InChIKey AHYSXUDLJOFNAB-UHFFFAOYSA-N
SMILES C(=O)C1=CC(O)=C(OC)C=C1Br
LogP 2.2 at 22℃ and pH5
CAS DataBase Reference 2973-59-3(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
HS Code  2913000090
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 2
Skin Sens. 1
NFPA 704:
0
2 0

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