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| Name |
5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt |
EINECS | 603-339-8 |
| CAS No. | 129541-41-9 | Density | N/A |
| PSA | 135.07000 | LogP | -0.47990 |
| 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 | N/A | Appearance | White solid |
| Safety | 24/25-37/39-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
X-beta-D-glucuronide sodium salt; |
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: Xi
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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