2-Methyl-1,3-benzothiazole-6-sulfonyl chloride

HCID 3583019CAS 21431-13-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1nc2ccc(S(=O)(=O)Cl)cc2s1
InChIKey: PMMBRDLKYRRHMI-UHFFFAOYSA-N
Summenformel: C8H6ClNO2S2
Durchschnittliche Molmasse: 247,7 g/mol
Monoisotopische Masse: 246,9528485

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride
IUPAC: 2-methyl-1,3-benzothiazole-6-sulfonyl chloride
Englischer Name: 2-Methyl-1,3-benzothiazole-6-sulphonyl chloride 95+%
Summenformel: C8H6ClNO2S2
Molmasse: 247.72

Namen und Synonyme

21431-13-02-methyl-1,3-benzothiazole-6-sulfonyl chlorideDTXSID10393879RefChem:262864DTXCID00344739825-009-42-methylbenzo[d]thiazole-6-sulfonyl chloride2-Methyl-benzothiazole-6-sulfonyl chlorideMFCD039905712-methylbenzothiazole-6-sulfonyl chloride2-METHYL-1,3-BENZOTHIAZOLE-6-SULPHONYL CHLORIDE 95+%2-Methyl-1,3-benzothiazole-6-sulphonyl chloride

Weitere Namen anzeigen

6-Benzothiazolesulfonyl chloride, 2-methyl-6-(Chlorosulphonyl)-2-methyl-1,3-benzothiazole2-methyl-1,3-benzothiazole-6-sulfonyl chloride(SALTDATA: FREE)

SCHEMBL609522F1967-0194WAA43113SBB002795AKOS000301981VS-0357chloro(2-methylbenzothiazol-6-yl)sulfoneSY040264

Datenbank-Bezeichner

CAS: 21431-13-0
PubChem CID: 3583019
DTXSID: DTXSID10393879
EC Number: 825-009-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 83,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 314

Physikochemische Eigenschaften

Schmelzpunkt: 98 · 98-101
Siedepunkt: 380.5 · 380.5±15.0 °C(Predicted)
Dichte: 1.556 · 1.556±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: crystalline powder
pka: -1.45 · -1.45±0.10(Predicted)
Farbe: Orange

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.