Sodium, 2,4-cyclopentadien-1-yl- (HCID 78681)

名称と識別子

優先名称: Sodium, 2,4-cyclopentadien-1-yl-
IUPAC: sodium cyclopenta-1,3-diene
現地名: 2,4-シクロペンタジエン-1-イルナトリウム
英語名: Sodium cyclopentadienide
分子式: C5H5Na
分子量: 88.08

名称と別名

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

名称をさらに表示

2,4-シクロペンタジエン-1-イルナトリウム(2,4-シクロペンタジエニル)ナトリウム2,4-シクロペンタジエニルナトリウム5-ソジオ-1,3-シクロペンタジエンシクロペンタジエニドナトリウム, 2-3MTHF溶液シクロペンタジエニリドナトリウムシクロペンタジエン-5-イルナトリウム(シクロペンタ-2,4-ジエン-1-イル)ナトリウム1-ソジオ-2,4-シクロペンタジエンSNCASodium cycL20%inTHFSodiumcyclopentadiene2,4-Cyclopentadienylsodium

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 23

実験および物理化学的性質

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 172 °C · 172 °C
比重(密度): 0.946 g/mL · 0.946 g/mL at 20 °C
闪点: 1 °F · 1 °F
貯蔵温度: 2 · 2-8°C
外見: Liquid
色: 暗赤色
水溶解度: 水と反応する。
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 データベース: 4984 · 4984-82-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · Sodium, 2,4-cyclopentadien-1-yl- (4984-82-1)

化学的性質

化学的特性White to greyish or yellowish powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

1.2 [mg/m3]

13 [mg/m3]

79 [mg/m3]

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

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
Hazard Classifications: Carc. 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3Water-react 1
ストレージクラス: 4.3 - Hazardous materials which set free flammable gases upon contact with water

化学と産業

用途と製造

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

応用分野 · 1 件

使用Sodium 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.