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Home >> Chemical Listing >> B >> 5-Bromo-4-chloro-3-indolyl beta-d-glucuronide

5-Bromo-4-chloro-3-indolyl beta-d-glucuronide
[CAS# 18656-89-8]

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Identification
Name 5-Bromo-4-chloro-3-indolyl beta-d-glucuronide
Synonyms (2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Structure CAS # 18656-89-8, 5-Bromo-4-chloro-3-indolyl beta-d-glucuronide, (2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Formula C14H13BrClNO7
Molecular Weight 422.61
CAS Registry Number 18656-89-8
SMILES C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br
Properties
Solubility 459.4 mg/L (25 ºC water)
Density 2.0±0.1 g/cm3, Calc.*
Index of Refraction 1.760, Calc.*
Melting point 257.79 ºC
Boiling Point 596.75 ºC, 732.2±60.0 ºC (760 mmHg), Calc.*
Flash Point 396.6±32.9 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302-H315-H319-H335    Details
Precautionary Statements P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501    Details
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