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4-Amino-6-chlortoluol-3-sulfonsure
2B ACID · red2bacid · 2B-SAEURE · uene-5-suL · 2BAcid/4BAcid · permanentred2bamine · Amino-chloro-5-methy · LABOTEST-BB LT01138546
Identifikatoren & physikalische Daten
| CAS No. | 88-51-7 |
|---|---|
| Summenformel | C7H8ClNO3S |
| Durchschnittliche Molmasse | 221,66 g/mol |
| Monoisotopische Masse | 220,9913418 g/mol |
| SMILES | Cc1cc(S(=O)(=O)O)c(N)cc1Cl |
| InChIKey | VRLPHBSFRWMMPW-UHFFFAOYSA-N |
| PubChem CID | 6935 |
| ChEMBL | CHEMBL3560120 |
| EC No. | 201-837-6 |
| DTXSID | DTXSID2026527 |
| Lokaler Name | 4-Amino-6-chlortoluol-3-sulfonsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 88,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 274 |
| Stoffklassen | Nitrogen Compounds -> Aminobenzenesulfonic Acids |
| Color/Form | WHITE TO BUFF POWDER |
| Löslichkeit | ESSENTIALLY INSOL AS FREE ACIDSOL AS SODIUM SALTSOL AS AMMONIUM SALTAqueous Acid (Slightly), DMSO (Slightly) |
| Physical Description | CBIWhite to beige solid[HSDB] Light grey odorless microcrystalline powder[MSDSonline] |
| Schmelzpunkt | >300°C |
| Siedepunkt | 163°C (rough estimate) |
| Dichte | 1.3031 (rough estimate) |
| Dampfdruck | 0-0Pa at 25℃ |
| Brechungsindex | 1.6210 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -1.58±0.50(Predicted) |
| Farbe | Off-White to Pale Red |
| LogP (Verteilungskoeffizient) | -0.97--0.89 at 23℃ and pH2.6 |
| CAS Datenbank | 88-51-7(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonic acid, 2-amino-4-chloro-5-methyl- (88-51-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1% (2 of 198) of reports.WarningH315 (42.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 198 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenesulfonic acid, 2-amino-4-chloro-5-methyl-Benzenesulfonic acid, 2-amino-4-chloro-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2-amino-4-chloro-5-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 18-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13749Benzenesulfonic acid, 2-amino-4-chloro-5-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | An irritant[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (42.4%) |
| Toxicity Data | LC (rat) > 13,000 mg/m3/4h |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3261 |
| Zollcode | 2921.43.9020 |
| RTECS-Nr. | XT6330000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 oral in rat: 12300mg/kg |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
Intermediate for azo pigments.