Product Name

  • Name

    5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt

  • EINECS 603-339-8
  • CAS No. 129541-41-9
  • Density
  • Solubility Soluble in water at 10mg/ml
  • Melting Point 228-230 °C
  • Formula C14H12BrClNNaO7
  • Boiling Point 732.2 °C at 760 mmHg
  • Molecular Weight 444.59
  • Flash Point 396.6 °C
  • Transport Information
  • Appearance White solid
  • Safety 24/25-37/39-26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 129541-41-9 (5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt)
  • Hazard Symbols IrritantXi
  • Synonyms X-beta-D-glucuronide sodium salt;
  • PSA 135.07000
  • LogP -0.47990

5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt Chemical Properties

Product Name: beta-D-Glucopyranosiduronic acid,5-bromo-4-chloro-1H-indol-3-yl, monosodium salt (9CI) (CAS NO.129541-41-9)

Molecular Formula: C14H12BrClNNaO7
Molecular Weight: 444.59g/mol
Mol File: 129541-41-9.mol
Appearance: White Solid
Melting Point: 228-230°C
Storage Temperature: -20°C
H-Bond Donor: 4
H-Bond Acceptor: 7
Structure Descriptors of beta-D-Glucopyranosiduronic acid,5-bromo-4-chloro-1H-indol-3-yl, monosodium salt (9CI) (CAS NO.129541-41-9):
  IUPAC Name: sodium6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
  Canonical SMILES: C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+]
  InChI: InChI=1S/C14H13BrClNO7.Na/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;/h1-3,9-12,14,17-20H,(H,21,22);/q;+1/p-1 
  InChIKey: IBLSVGDGSKUDCT-UHFFFAOYSA-M
Product Categories: Carbohydrates & Derivatives; Fluorescent Labels & Indicators; Glucuronides; Labeling and Diagnostics Reagents

5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt Safety Profile

Safety Information of beta-D-Glucopyranosiduronic acid,5-bromo-4-chloro-1H-indol-3-yl, monosodium salt (9CI) (CAS NO.129541-41-9):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-37/39-26 
S24/25:Avoid contact with skin and eyes. 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3

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