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ジシクロペンタジエニルクロミウム

Chromocene

HCID 79154
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
1271-24-5
標準SMILES
[Cr+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIKey
TYYBBNOTQFVVKN-UHFFFAOYSA-N
分子式
C10H10Cr
平均分子量
182.18 g/mol
単同位体質量
182.018755

概要

Bis(cyclopentadienyl)chromium appears as red needles or reddish-purple solid. (NTP, 1992)

名称と識別子

優先名称
Chromocene
IUPAC
chromium(2+);bis(cyclopenta-1,3-diene)
現地名
ジシクロペンタジエニルクロミウム
英語名
Chromocene
分子式
C10H10Cr
分子量
182.18

名称と別名

ChromoceneBis(cyclopentadienyl)chromiumBis(cyclopentadiene)chromium(II)CCRIS 5974FI251W8B1LDTXSID7024615EINECS 215-036-4Di((eta-5)-cyclopentadienyl)chromiumUNII-FI251W8B1LDTXCID904615Bis(eta5-cyclopenta-2,4-dien-1-yl)chromiumBis(eta(5)-2,4-cyclopentadien-1-yl) chromium
名称をさらに表示
クロモセンジシクロペンタジエニルクロミウムビス(シクロペンタジエニル)クロムビス(シクロペンタジエニル)クロム(II)Chromocene,95%Bis(cyclopentadienyl)chromdicyclopentadienyl-chromiudicyclopentadienylchromiumbis(cyclopentadiene)chromiumBis(cyclopentadienyl)cadmiumdi-pi-cyclopentadienyl-chromiuChromocene ISO 9001:2015 REACH
RefChem:125903Chromium, bis(eta(5)-2,4-cyclopentadien-1-yl)bis(eta-Cyclopentadienyl) chromiumbis(eta5-Cyclopentadienyl) chromiumbis(.eta.-Cyclopentadienyl) chromiumDI-PI-CYCLOPENTADIENYLCHROMIUMBIS(CYCLOPENTADIENE)CHROMIUM IIBIS(CYCLOPENTADIENYL)CHROMIUM II

データベース識別子

CAS
1271-24-5
PubChem CID
79154
UNII
FI251W8B1L
EC Number
215-036-4

物性

構造計算による物性

極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
11
形式電荷
0
複雑度
11.6

実験および物理化学的性質

SolubilityDecomposes (NTP, 1992)
Boiling Point167 to 194 °F at 760 mmHg under vacuum (sublimes) (NTP, 1992)
Melting Point343 °F (NTP, 1992)
Physical DescriptionBis(cyclopentadienyl)chromium appears as red needles or reddish-purple solid. (NTP, 1992)

物理化学的性質

融点
168 · 168-170 °C(lit.)
貯蔵温度
30 °C · Store below +30°C.
外見
結晶
色
スカーレット
水溶解度
水に不溶。
InChI
1S/2C5H5.Cr/c2*1-2-4-5-3-1;/h2*1-5H;
InChIKey
OXPNGPODCRFNTM-UHFFFAOYSA-N
SMILES
[Cr].[CH]1[CH][CH][CH][CH]1.[CH]2[CH][CH][CH][CH]2
NISTの化学物質情報
Bis(«eta»5-cyclopentadienyl) chromium(1271-24-5)
EPAの化学物質情報
Chromocene (1271-24-5)

化学的性質

化学的特性bordeaux crystalline powder

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 101 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Chromocene
DOT LabelFlammable Solid
Fire HazardsLiterature sources indicate that this chemical is flammable. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Reactive GroupOrganometallics
Reactivity AlertsKnown Catalytic Activity
Reactivity ProfileBIS(CYCLOPENTADIENYL)CHROMIUM reacts with water and alcohols. (NTP, 1992). Its reaction with alcohols produces pyrophoric metal alkoxides (dialkoxychromium and cyclopentadiene).
Air and Water ReactionsThis compound is very sensitive to exposure to air and moisture (decomposition is not vigorous). Decomposes in water (NTP, 1992).
Hazard Classes and CategoriesAcute Tox. 4 (95%)

安全と保護具

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 133 [Flammable Solids]:
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Immediately Dangerous to Life or Health (IDLH)250 mg Cr(II)/m3 (NIOSH, 2024)

毒性情報

TreatmentThere is no know antidote for chromium poisoning. Exposure is usually handled with symptomatic treatment. (L16)
Health EffectsChromium in its trivalent state is not very toxic. It may be oxidized to hexavalent chromium, a known carcinogen. Hexavalent chromium has also been shown to affect reproduction and development. (A12)
Exposure RoutesOral (L16) ; inhalation (L16) ; dermal (L16)
Toxicity Summary · 1 件

Trivalent chromium may also form complexes with peptides, proteins, and DNA, resulting in DNA-protein crosslinks, DNA strand breaks, DNA-DNA interstrand crosslinks, chromium-DNA adducts, chromosomal aberrations and alterations in cellular signaling pathways. It has been shown to induce carcinogenesis by overstimulating cellular regulatory pathways and increasing peroxide levels by activating certain mitogen-activated protein kinases. It can also cause transcriptional repression by cross-linking histone deacetylase 1-DNA methyltransferase 1 complexes to CYP1A1 promoter chromatin, inhibiting histone modification. Chromium may increase its own toxicity by modifying metal regulatory transcription factor 1, causing the inhibition of zinc-induced metallothionein transcription. (A12, L16, A34, A35, A36)

Signs and Symptoms · 1 件

Chromium in its trivalent state is not very toxic, but it may be oxidized to hexavalent chromium. Breathing hexavalent chromium can cause irritation to the lining of the nose, nose ulcers, runny nose, and breathing problems, such as asthma, cough, shortness of breath, or wheezing. Ingestion of hexavalent chromium causes irritation and ulcers in the stomach and small intestine, as well as anemia. Skin contact can cause skin ulcers. (L16)

Carcinogen ClassificationNo indication of carcinogenicity (not listed by IARC). (L135)

安全データ

wgk
3
tsca
TSCA listed
rtecs
GB7600000
ridadr
1325
hs_code
29319090
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi
safety_code
26-37/39
hazard_class
4.2
packing_group
I
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Corr. 1ASkin Sens. 1
ストレージクラス
8A - Combustible corrosive hazardous materials

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Chromium is absorbed from oral, inhalation, or dermal exposure and distributes to nearly all tissues, with the highest concentrations found in kidney and liver. Bone is also a major storage site and may contribute to long-term retention. Hexavalent chromium's similarity to sulfate and chromate allow it to be transported into cells via sulfate transport mechanisms. Inside the cell, hexavalent chromium is reduced first to pentavalent chromium, then to trivalent chromium by many substances including ascorbate, glutathione, and nicotinamide adenine dinucleotide. Chromium is almost entirely excreted with the urine. (A12, L16)

用途と製造

UsesChromocene is used as a catalyst. (L526)
General Manufacturing InformationChromocene: ACTIVE

応用分野

使用Provides catalyst for ethylene polymerization. A precursor to other chromium(II) compounds.

一般的な説明Red needles or reddish-purple solid.

調製方法 · 1 件

純化方法Chromocene forms pyrophoric red crystals on sublimation at 50o/0.1mm followed by resublimation at 75-90o/0.1mm. Although it is stable at least to 300o, it is readily oxidised in air, and effervesces slowly in H2O to give cyclopentadiene. All operations should be carried out in a dry box. It decomposes in CCl4 or CS2, and for IR even grinding with nujol, KBr or KI causes some decomposition. [Wilkinson et al. J Inorg Nucl Chem 95 109 1956, Wilkinson J Am Chem Soc 76 209 1954, Beilstein 16 IV 1774.]

上流・下流製品情報

上流原料

ジシクロペンタジエントルエンナトリウムテトラヒドロフラントリクロロクロム(III)NULLシクロペンタジエン

サプライヤー56 社

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関連反応

2 件
反応記録を作成
HRID 866661 の反応式
HRID 866661生成物としてuspto-grants-1978_07
HRID 1678838 の反応式
HRID 1678838生成物としてuspto-grants-1978_03

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