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Home >> Chemical Listing >> 5 >> 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
Name5-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 StructureCAS # 18656-89-8, 5-Bromo-4-chloro-3-indolyl beta-d-glucuronide
Molecular FormulaC14H13BrClNO7
Molecular Weight422.61
CAS Registry Number18656-89-8
SMILESC1=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
Solubility459.4 mg/L (25 °C water)
Density2.0±0.1 g/cm3, Calc.*
Index of Refraction1.760, Calc.*
Melting point257.79 °C
Boiling Point596.75 °C, 732.2±60.0 °C (760 mmHg), Calc.*
Flash Point396.6±32.9 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol   GHS07 Warning  Details
Risk StatementsH302-H315-H319-H335  Details
Safety StatementsP261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501  Details
SDSAvailable
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