HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Brom-4-chlorindol-3-yl-beta-D-galactopyranosid
X-GAL · X-β-GAL · 5-BROMO-4-CHLORO-3-INDOLYL-β-D-GALACTOPYRANOSIDE (X-GAL) · BCIG · Bromo D · β-D-GaL · abs9126 · X-BETA-GAL
Identifikatoren & physikalische Daten
| CAS No. | 7240-90-6 |
|---|---|
| Summenformel | C14H15BrClNO6 |
| Durchschnittliche Molmasse | 408,63 g/mol |
| Monoisotopische Masse | 406,97713 g/mol |
| SMILES | OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@H]1O |
| InChIKey | OPIFSICVWOWJMJ-AEOCFKNESA-N |
| PubChem CID | 65181 |
| ChEMBL | CHEMBL1242856 |
| ChEBI | CHEBI:75055 |
| EC No. | 230-640-8 |
| DTXSID | DTXSID901349452 |
| Lokaler Name | 5-Brom-4-chlorindol-3-yl-beta-D-galactopyranosid |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 115 |
| H-Brücken-Donoren | 5 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 421 |
| Physical Description | Solid[Merck Index] White powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 230 °C |
| Siedepunkt | 673.9±55.0 °C(Predicted) |
| Dichte | 1.5563 (rough estimate) |
| Brechungsindex | 1.6110 (estimate) |
| Lagerbedingungen | -20°C |
| Löslichkeit | Soluble in 100 mM in DMSO. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 12.74±0.70(Predicted) |
| Farbe | White |
| Geruch | Odorless |
| Merck | 14,10074 |
| BRN | 1402009 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/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-/m1/s1 |
| InChIKey | OPIFSICVWOWJMJ-AEOCFKNESA-N |
| SMILES | OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@H]1O |
| CAS Datenbank | 7240-90-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 20% (2 of 10) of reports.WarningH302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (80%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (80%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 10 reports by companies.There are 2 notifications provided by 8 of 10 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | 5-Bromo-4-chloro-3-indolyl-beta-D-galactoside: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See Indole and 5-Bromo-4-chloro-3-indoxyl phosphate. |
| Hazard Classes and Categories | Acute Tox. 4 (80%) |
| F | 8-10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29389090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-37/39-26 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse |
Anwendungen & Verwendung
Verwenden
A substrate for -Galactosidase that is converted by the enzyme into an intense indigo-blue chromophore (615 nm)