3-Bromo-5-chlorothiophene-2-sulfonyl chloride

HCID 2737400

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Grundinformationen

CAS: 175205-72-8
Standard-SMILES: O=S(=O)(Cl)c1sc(Cl)cc1Br
InChIKey: IJWGXKAPAGXFRO-UHFFFAOYSA-N
Summenformel: C4HBrCl2O2S2
Durchschnittliche Molmasse: 296 g/mol
Monoisotopische Masse: 293,79784

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-5-chlorothiophene-2-sulfonyl chloride
IUPAC: 3-bromo-5-chlorothiophene-2-sulfonyl chloride
Englischer Name: 3-BROMO-5-CHLOROTHIOPHENE-2-SULFONYL CHLORIDE
Summenformel: C4HBrCl2O2S2
Molmasse: 295.99

Namen und Synonyme

3-bromo-5-chlorothiophene-2-sulfonyl chloride175205-72-8DTXSID20372039RefChem:498879DTXCID30323072676-280-93-Bromo-5-chlorothiophene-2-sulfonylchlorideMFCD000520953-bromo-5-chlorothiophene-2-sulphonyl chloride2-Thiophenesulfonyl chloride, 3-bromo-5-chloro-3-bromo-5-chloro-thiophene-2-sulfonyl Chloride3-bromo-5-chloro-2-thiophenesulfonyl chloride

Weitere Namen anzeigen

3-bromo-5-chloro-2-(chlorosulphonyl)thiopheneSCHEMBL3909023-bromo-5-chlorothiophene-2-sulfonyl chloride, 95+%IJWGXKAPAGXFRO-UHFFFAOYSA-NAKOS005259641AT16700AS-91975SY103910

Datenbank-Bezeichner

CAS: 175205-72-8
PubChem CID: 2737400
DTXSID: DTXSID20372039
EC Number: 676-280-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 70,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 237

Physikochemische Eigenschaften

Schmelzpunkt: 34 · 34-36°C
Siedepunkt: 346.7 · 346.7±42.0 °C(Predicted)
Dichte: 2.059 · 2.059±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
Farbe: Pale brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, 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.