5-Bromo-2-thiophenesulfonamide

HCID 1241304CAS 53595-65-6

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Grundinformationen

Standard-SMILES: NS(=O)(=O)c1ccc(Br)s1
InChIKey: WXJQQLDICAOBJB-UHFFFAOYSA-N
Summenformel: C4H4BrNO2S2
Durchschnittliche Molmasse: 242,1 g/mol
Monoisotopische Masse: 240,88668247

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-thiophenesulfonamide
IUPAC: 5-bromothiophene-2-sulfonamide
Englischer Name: 5-Bromothiophene-2-sulfonamide
Summenformel: C4H4BrNO2S2
Molmasse: 242.11

Namen und Synonyme

53595-65-65-Bromo-2-thiophenesulfonamideRefChem:533378611-018-95-Bromothiophene-2-sulfonamide5-bromo-thiophene-2-sulfonic acid amideMFCD000679905-Bromothiophene-2-sulfonic acid amide2-thiophenesulfonamide, 5-bromo-5-bromothiophene-2-sulphonamideMaybridge1_0048855-bromothien-2-ylsulfonamide

Weitere Namen anzeigen

BUTTPARK 21\07-105-Bromothiophene-2-s5-Bromo-2-thiophenesulfomide5-Bromothiophene-2-Sulfonylami2-BROMOTHIOPHENE-5-SULFOMAMIDE2-BROMO THIOPHENE-5-SULFONAMIDE5-BROMOTHIOPHENE-2-SULFONYLAMINE

SCHEMBL625352CHEMBL4531435-bromo-thiophene-2-sulfonamide5-Bromothiophene-2-sulfon-amideHMS555G01DTXSID20361302CL1309SBB099539

Datenbank-Bezeichner

CAS: 53595-65-6
PubChem CID: 1241304
DTXSID: DTXSID20361302
ChEMBL: CHEMBL453143
EC Number: 611-018-9
Nikkaji: J1.906.873K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 96,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 210

Physikochemische Eigenschaften

Schmelzpunkt: 138 · 138-142 °C (lit.)
Siedepunkt: 386.4 · 386.4±52.0 °C(Predicted)
Dichte: 1.951 · 1.951±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 9.75 · 9.75±0.60(Predicted)
Farbe: Light orange to Yellow to Green
InChI: 1S/C4H4BrNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
InChIKey: WXJQQLDICAOBJB-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1ccc(Br)s1
CAS Datenbank: 53595 · 53595-65-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29350090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Bromothiophene-2-sulfonamide may be used to synthesize:5-(phenylthio)thiophene-2-sulfonamide5-bromothiophene-2-sulfonyl acetamide5-arylthiophene-2-sulfonylacetamide derivativesIt may also be used in the preparation of the following 5-arylthiophene-2-sulfonamides:5-phenylthiophene-2-sulfonamide5-(3-cyno-5-(trifluoromethyl)phenyl)thiophene-2-sulfonamide5-(3,5-bis(trifluoromethyl)phenyl)thiophene-2-sulfonamide5′-chloro-2,2′-bithiophene-5-sulfonamide 5′-methyl-2,2′-bithiophene-5-sulfonamide 5-p-tolylthiophene-2-sulfonamide5-(4-methoxyphenyl)thiophene-2-sulfonamide5-(4-chlorophenyl)thiophene-2-sulfonamide5-(3,4-dichlorophenyl)thiophene-2-sulfonamide5-(3,5-dimethylphenyl)thiophene-2-sulfonamide5-(4-chloro-3-fluorophenyl)thiophene-2-sulfonamide