5-Chlorothiophene-2-carbonyl Chloride

HCID 589223CAS 42518-98-9

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Grundinformationen

Standard-SMILES: O=C(Cl)c1ccc(Cl)s1
InChIKey: BMPDCQVRKDNUAP-UHFFFAOYSA-N
Summenformel: C5H2Cl2OS
Durchschnittliche Molmasse: 181,04 g/mol
Monoisotopische Masse: 179,9203412

Namen und Bezeichner

Bevorzugter Name: 5-Chlorothiophene-2-carbonyl Chloride
IUPAC: 5-chlorothiophene-2-carbonyl chloride
Englischer Name: 5-Chlorothiophene-2-carbonyl chloride
Summenformel: C5H2Cl2OS
Molmasse: 181.04

Namen und Synonyme

5-chlorothiophene-2-carbonyl chloride42518-98-9DTXSID00343348RefChem:535026DTXCID60294428800-982-85-Chlorothiophene-2-carbonylchloride5-Chorothiophene-2-Carbonyl Chloride5-Chloro-2-thiophenecarbonyl chlorideMFCD000438865-chloro-2-thenoyl chloride2-THIOPHENECARBONYL CHLORIDE, 5-CHLORO-

Weitere Namen anzeigen

Rivaroxabansidechain2-Amino-10-picolineRivaroxaban Impurity 82orothiophene-2-carbonyLRivaroxaban Impurity 102Rivaroxaban Impurity 1035-Chlorothieno-2-formyl chloride

5-Chloro-thiophene-2-carbonyl chlorideV8Z66S2CJ35-Chloro-2-Thiophenecarbonyl Chloride (>90%)5-Chloro-2-thenoyl Chloride; 5-Chloro-2-thienoyl Chloride; 5-Chloro-2-thienylcarbonyl Chloride; 5-Chloro-2-thiophenecarbonyl Chloride;5-chlorothiophene-2-carboxylic acid chlorideUNII-V8Z66S2CJ3SCHEMBL760285-chlorothiophenecarbonyl chloride

Datenbank-Bezeichner

CAS: 42518-98-9
PubChem CID: 589223
DTXSID: DTXSID00343348
UNII: V8Z66S2CJ3
EC Number: 800-982-8
Nikkaji: J1.104.362C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 45,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Schmelzpunkt: 4 ℃ · 4℃
Siedepunkt: 122 · 122-127℃/16Torr
Dichte: 1.5 · 1.50
Brechungsindex: 1.604 to · 1.6040 to 1.6080
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Colourless to Pale Yellow
Wasserlöslichkeit: Slightly soluble in water.
Stabilität: Hygroscopic
InChI: InChI=1S/C5H2Cl2OS/c6-4-2-1-3(9-4)5(7)8/h1-2H
InChIKey: BMPDCQVRKDNUAP-UHFFFAOYSA-N
SMILES: C(Cl)(C1SC(Cl)=CC=1)=O
CAS Datenbank: 42518 · 42518-98-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, 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.