Cyclopenta-2,4-dien-1-ylnatrium

Sodium, 2,4-cyclopentadien-1-yl-

HCID 78681CAS 4984-82-1

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Grundinformationen

Standard-SMILES: [Na+].c1cc[cH-]c1
InChIKey: OHUVHDUNQKJDKW-UHFFFAOYSA-N
Summenformel: C5H5Na
Durchschnittliche Molmasse: 88,08 g/mol
Monoisotopische Masse: 88,02889444

Namen und Bezeichner

Bevorzugter Name: Sodium, 2,4-cyclopentadien-1-yl-
IUPAC: sodium cyclopenta-1,3-diene
Lokaler Name: Cyclopenta-2,4-dien-1-ylnatrium
Englischer Name: Sodium cyclopentadienide
Summenformel: C5H5Na
Molmasse: 88.08

Namen und Synonyme

4984-82-1Sodium, 2,4-cyclopentadienideSodium, 2,4-cyclopentadien-1-yl-Cyclopenta-2,4-dien-1-ylsodiumEINECS 225-636-8DTXSID9063665RefChem:888000Cyclopenta2,4dien1ylsodiumSodium, 2,4cyclopentadien1ylDTXCID001322988UN3395225-636-8

Weitere Namen anzeigen

SNCASodium cycL20%inTHFSodiumcyclopentadiene2,4-Cyclopentadienylsodium

SODIUM CYCLOPENTADIENIDECYCLOPENTADIENYLSODIUMSodium cyclopentadienylidesodium;cyclopenta-1,3-dieneMFCD00012161NACPcyclopentadienyl sodiumSCHEMBL707334

Datenbank-Bezeichner

CAS: 4984-82-1
PubChem CID: 78681
DTXSID: DTXSID9063665
EC Number: 225-636-8
Nikkaji: J52.072A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 23

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 172 °C · 172 °C
Dichte: 0.946 g/mL · 0.946 g/mL at 20 °C
Flammpunkt: 1 °F · 1 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: dark red
Wasserlöslichkeit: Reacts with water.
BRN: 969542 · 969542
InChI: InChI=1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H;
InChIKey: PDTZVKVFAJGNRV-UHFFFAOYSA-N
SMILES: C1([Na])C=CC=C1
CAS Datenbank: 4984 · 4984-82-1(CAS DataBase Reference)
EPA chemische Informationen: 2 · Sodium, 2,4-cyclopentadien-1-yl- (4984-82-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H260 (57.7%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases]；H314 (98.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P223, P231+P232, P260, P264, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 4 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

Hazards SummaryReacts violently with water evolving hydrogen gas; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesWater-react. 1 (57.7%)；Skin Corr. 1B (98.6%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

1.2 [mg/m3]

13 [mg/m3]

79 [mg/m3]

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 1-10
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29319090
risk_code: 11-19-34-40-37-14/15
hazard_code: F,Xi,C
safety_code: 16-26-36/37/39-45-43
hazard_class: 4.3
packing_group: II
Speicherklasse: 4.3 - Hazardous materials which set free flammable gases upon contact with water
Hazard Classifications: Carc. 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3Water-react 1

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationSodium, 2,4-cyclopentadien-1-yl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenSodium cyclopentadienide is used as a reagent for the preparation of metallocenes. It is used to prepare Cp-cobaltacycles from diphenylphosphinoalkynes and CoCl(PPh3)3. It is a useful reagent for the preparation of metallocenes and cyclopentadienyl metal complexes.