基本情報
- CAS
13007-92-6- 標準SMILES
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]- InChIKey
KOTQLLUQLXWWDK-UHFFFAOYSA-N- 分子式
- C6CrO6
- 平均分子量
- 220.06 g/mol
概要
Chromium carbonyl appears as white crystalline or granular solid. Sublimes at room temperature. Burns with a luminous flame. (NTP, 1992)
名称と識別子
- 優先名称
- Chromium hexacarbonyl
- IUPAC
- carbon monoxide;chromium
- 現地名
- クロム ヘキサカルボニル
- 英語名
- Chromium hexacarbonyl
- 分子式
- 6CO.Cr
- 分子量
- 220.06
名称と別名
名称をさらに表示
データベース識別子
- CAS
13007-92-6- PubChem CID
- 25589
- UNII
- 920F3EJX2P
- EC Number
- 235-852-4
物性
構造計算による物性
- 極性表面積
- 6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 0
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 10
実験および物理化学的性質
Chemical Classes
Metals -> Chromium Compounds, Inorganic
Carcinogens
Vapor Pressure
1 mmHg at 97 °F ; 760 mmHg at 304 °F (NTP, 1992)
0.26 [mmHg]
Physical Description
Chromium carbonyl appears as white crystalline or granular solid. Sublimes at room temperature. Burns with a luminous flame. (NTP, 1992)
White solid; Sublimes at room temperature; [CAMEO] Insoluble in water; Danger of explosion if heated; [MSDSonline]
物理化学的性質
- 融点
- 150 °C · >150 °C (dec.) (lit.)
- 沸点
- 220 °C · 220 °C
- 比重(密度)
- 1.77 g/mL · 1.77 g/mL at 25 °C (lit.)
- 蒸気密度
- 7.6 · 7.6 (vs air)
- 蒸気圧
- 1 mm · 1 mm Hg ( 36 °C)
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 2 O, · insoluble in H2O, ethanol; soluble in ethyl ether,chloroform
- 外見
- クリスタル
- 比重
- 1.77 · 1.77
- 色
- 白い
- 水溶解度
- 不溶性
- Merck
- 13 · 13,2253
- 安定性
- 安定。強力な酸化剤とは相容れない。
- InChI
- 1S/6CO.Cr/c6*1-2;
- InChIKey
- KOTQLLUQLXWWDK-UHFFFAOYSA-N
- SMILES
- [Cr].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
- CAS データベース
- 13007 · 13007-92-6(CAS DataBase Reference)
- NISTの化学物質情報
- Chromium hexacarbonyl(13007-92-6)
- EPAの化学物質情報
- Chromium hexacarbonyl (13007-92-6)
化学的性質
化学的特性white crystals or powder
安全と法規制
GHS分類
GHS Classification
Danger
H301 (98.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 150 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Chromium carbonyl (Cr(CO)6), (OC-6-11)-
Chromium hexacarbonyl: HSNO Approval: HSR005370 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Health Hazards
SYMPTOMS: Exposure to this compound may cause irritation. Symptoms of exposure to this type of compound upon ingestion may include dizziness, intense thirst, abdominal pain, vomiting and shock. Skin contact with this type of compound may result in incapacitating eczematous dermatitis with edema and ulceration. Inhalation of this type of compound may cause painless ulceration, bleeding and perforation of the nasal septum accompanied by a foul nasal discharge, conjunctivitis, lacrimation, acute hepatitis with jaundice, nausea, vomiting, loss of appetite and an enlarged, tender liver. Ingestion of this type of compound may also lead to oliguria or anuria and death from uremia.
Hazards Summary
Skin contact: dermatitis; Inhalation: perforation of nasal septum, lacrimation, and acute hepatitis; [CAMEO] A skin, eye, and respiratory tract irritant; Harmful if ingested, absorbed through skin, or inhaled; Decomposition of carbonyl compounds can yield carbon monoxide; [MSDSonline] A water-insoluble chromium [0] compound (chromium carbonyl) did not induce DNA damage in bacteria. [IARC] See Chromium.
Hazard Classes and Categories
Acute Tox. 3 (98.7%)
Carcinogens
安全と保護具
First Aid
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
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.
Protective Action Criteria (PAC)
0.0021 [mg/m3]
0.42 [mg/m3]
66 [mg/m3]
Personal Protective Equipment (PPE)
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)
毒性情報
Toxicity Summary
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
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)
Toxicity Data
LCLo (rat) = 35 mg/ m3/30min
LD50: 230 mg/kg (Oral, Rat) (L532) LD50: 30 mg/kg (Intravenous, Mouse) (L532)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GB5075000
- ridadr
- UN 3466 6.1/PG 3
- 毒性
- LD50 i.v. in mice: 100 mg/kg (Strohmeier)
- PRTR法
- 1-87
- hs_code
- 29310095
- risk_code
- 22-50/53-49-44-43-20/21/22-5
- 安衛法
- 57,57-2
- hazard_code
- T,N,Xn
- safety_code
- 53-36-45-61-60-36/37
- hazard_class
- 6.1
- packing_group
- II
- Hazard Classifications
- Acute Tox. 3 Oral
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
Metabolism/Metabolites
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
応用分野
解説普通,ヘキサカルボニルクロム[Cr(CO)6]をいう.クロム ヘキサカルボニル, アセチルアセトナトクロム(Ⅱ)または(Ⅲ)錯体をピリジン中,粉末Znの存在下でカルボニル化してつくる.白色の結晶.ほかの金属カルボニルと比べて非常に安定で,空気中130 ℃ で分解する.真空中で昇華する.ベンゼン,四塩化炭素などから再結晶できる.COはCrのまわりに正八面体に配位し,Cr-C-Oは直線,Cr-C0.192 nm,C-O0.116 nm.N,P,Asなどのドナー原子,および不飽和炭化水素でCOを一部置換することができる.液体アンモニア中,金属ナトリウムを作用させると [Cr(CO)5]2- が,NaBH4を作用させるとCr-H-Cr結合をもつ [Cr2H(CO)10]- 錯体が得られる.[CAS 13007-92-6]森北出版「化学辞典(第2版)
使用Chromiumhexacarbonyl is a volatile; air stable precursor of Chromium(0); widely used for thin film deposition - ALD and CVD. The thin films can be grown at room temperature and low pressure by laser CVD .
一般的な説明White crystalline or granular solid. Sublimes at room temperature. Burns with a luminous flame.
調製方法
製造方法Chromium hexacarbonyl is prepared by the reaction of anhydrous chromium(III) chloride with carbon monoxide in the presence of a Grignard reagent. A 60% product yield may be obtained at the carbon monoxide pressures of 35 to 70 atm. Other chromium salts may be used with carbon monoxide and Grignard reagent in the preparation. The compound may also be obtained by the reaction of a chromium salt with carbon monoxide in the presence of magnesium in ether or sodium in diglyme.
純化方法Wash the complex with cold EtOH, then Et2O, and allow it to dry in air. Alternatively recrystallise it from dry Et2O. This is best accomplished by placing the hexacarbonyl in a Soxhlet extractor and extracting exhaustively with dry Et2O. Pure Cr(CO)6 is filtered off and dried in air. Completely colourless refracting crystals are obtained by sublimation at 40-50o/
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