107021-38-5

Name 5-Bromo-4-chloro-3-indolyl-alpha-D-galactopyranoside
CAS 107021-38-5
EINECS(EC#) 1533716-785-6
Molecular Formula C14H15BrClNO6
MDL Number MFCD00063780
Molecular Weight 408.63
MOL File 107021-38-5.mol
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Chemical Properties

Melting point  230℃ (dec.)
alpha  +142～+149
Boiling point  673.9±55.0 °C(Predicted)
density  1.882±0.06 g/cm3(Predicted)
storage temp.  Store at 4 or below
solubility  DMF: 3 mg/ml; DMSO: 14 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 0.25 mg/ml
form  White to off-white solid
pka 12.74±0.70(Predicted)
color  White to light yellow
Optical Rotation [α]/D 135.0±5.0°, c = 1 in DMF/H2O 1:1
InChI InChI=1/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11+,12+,13-,14+/s3
InChIKey OPIFSICVWOWJMJ-ZQYXXTRKNA-N
SMILES C12C(Cl)=C(C=CC=1NC=C2O[C@@H]1[C@H](O)[C@H]([C@@H](O)[C@@H](CO)O1)O)Br |&1:11,12,14,15,17,r|
CAS DataBase Reference 107021-38-5(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P271-P280
WGK Germany  3
HS Code  29400090
Storage Class 11 - Combustible Solids

Hazard Information

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