CAS 68986-76-5 Cuprous 2-thiophenecarboxylate (HCID 11194830)

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Grundinformationen

CAS: 68986-76-5
Standard-SMILES: O=C([O-])c1cccs1.[Cu+]
InChIKey: SFJMFSWCBVEHBA-UHFFFAOYSA-M
Summenformel: C5H3CuO2S
Durchschnittliche Molmasse: 190,69 g/mol
Monoisotopische Masse: 189,914973

Namen und Bezeichner

Bevorzugter Name: Cuprous 2-thiophenecarboxylate
IUPAC: copper(1+);thiophene-2-carboxylate
Englischer Name: Copper(I) thiophene-2-carboxylate
Summenformel: C5H3CuO2S
Molmasse: 190.69

Namen und Synonyme

Copper(I) thiophene-2-carboxylate68986-76-5Cuprous 2-thiophenecarboxylateCuprous 2-thienylcarboxylateCopper 2-thiophenecarboxylateCopper(1+) thiophene-2-carboxylateCopper 2-thienylcarboxylateCopper(I) thiophene-2-carboxylate [MI]7519WBL07L(2-Thiophenecarboxylato-kappaO2,kappaS1)copperCopper, (2-thiophenecarboxylato-kappaO2,kappaS1)-(2-THIOPHENECARBOXYLATO-.KAPPA.O2,.KAPPA.S1)COPPER

Weitere Namen anzeigen

Thiophene-2-carbonyloxycopperCopper(I) thiophene-2-carboxylate,Cu (TC)(2-Thiophenecarboxylato)copperCopper(I) thiophene-2-carboxyLCopper (I) thiophenecarboxylatecuprous,thiophene-2-carboxylateCopper(I) thiophen-2-carboxylate

COPPER, (2-THIOPHENECARBOXYLATO-.KAPPA.O2,.KAPPA.S1)-RefChem:580049633-277-7CuTCC5H3CuO2SCopper(I) 2-Thiophenecarboxylatecopper(1+);thiophene-2-carboxylateMFCD02183524

Datenbank-Bezeichner

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 68,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 97

Physikochemische Eigenschaften

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: Powder
Farbe: Red to brown
Merck: 14 · 14,2521
InChI: InChI=1S/C5H4O2S.Cu/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
InChIKey: SFJMFSWCBVEHBA-UHFFFAOYSA-M
SMILES: [Cu+].C1(C([O-])=O)SC=CC=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

Sicherheitsdaten

wgk: 3
ridadr: 3077
hs_code: 29349990
risk_code: 36/37/38-51/53
hazard_code: Xi,N
safety_code: 26-61
hazard_class: IRRITANT, AIR SENSITIVE, LIGHT SENSITIVE
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCOPPER(I) THIOPHENE-2-CARBOXYLATE is used for studies of xenobiotic response safener derivatives, synthesis of functionalized BODIPY dye analogs, orthogonal cross-coupling reactions, preparation of parent borondipyrromethene system and Copper mediated cross-coupling.