基本情報
- 標準SMILES
CCB(CC)CC- InChIKey
LALRXNPLTWZJIJ-UHFFFAOYSA-N- 分子式
- C6H15B
- 平均分子量
- 98 g/mol
- 単同位体質量
- 98.12668088
概要
used in the radical deuteration reaction of ribonucleoside derivatives
名称と識別子
- 優先名称
- Triethylborane
- IUPAC
- triethylborane
- 現地名
- トリエチルボラン (約1mol/Lテトラヒドロフラン溶液)
- 英語名
- Triethylborane
- 分子式
- C6H15B
- 分子量
- 97.99
名称と別名
名称をさらに表示
データベース識別子
- CAS
97-94-9- PubChem CID
- 7357
- DTXSID
DTXSID2052653- UNII
- Z3S980Z4P3
- EC Number
- 202-620-9
- Nikkaji
- J55.478B
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
- 0
- 回転可能結合数
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 25.7
実験および物理化学的性質
Color/Form
Colorless liquid
Colorless fuming liquid
Solubility
Soluble in alcohol, ether
Miscible with most organic solvents; immiscible with water
Vapor Pressure
53.0 [mmHg]
53 mm Hg at 25 °C /est/
物理化学的性質
- 融点
- -92 °C · -92°C
- 沸点
- 95 °C · 95°C
- 比重(密度)
- 0.865 g/mL · 0.865 g/mL at 25 °C
- 蒸気圧
- 67 hPa · 67hPa at 25℃
- 屈折率
- 20 · n20/D 1.380
- 闪点
- 1 °F · 1 °F
- 貯蔵温度
- 0 · 0-6°C
- 外見
- 液体
- 色
- 無色~淡い琥珀色
- 水溶解度
- 分解する
- 比熱容量
- 2.46 J/ · Cp(liquid): 2.46 J/(g·K), at 25℃
- Merck
- 14 · 14,9668
- BRN
- 1731462 · 1731462
- InChI
- 1S/C6H15B/c1-4-7(5-2)6-3/h4-6H2,1-3H3
- InChIKey
- LALRXNPLTWZJIJ-UHFFFAOYSA-N
- SMILES
- CCB(CC)CC
- CAS データベース
- 97 · 97-94-9(CAS DataBase Reference)
- NISTの化学物質情報
- Borane, triethyl-(97-94-9)
- EPAの化学物質情報
- Borane, triethyl- (97-94-9)
化学的性質
化学的特性Clear colourless to light amber solution. Miscible with most organic solvents; immiscible with water.
化学性质低級トリアルキルボランの一つで,微量の酸素と反応してラジカル種を発生させる
安全と法規制
GHS分類
GHS Classification
Danger
H225 (16.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P222, P231, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P335+P334, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 256 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
危険有害性情報
Regulatory Information
Chemical: Borane, triethyl-
Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19345
Borane, triethyl-: HSNO Approval: HSR001432 Approved with controls
Hazards Summary
Highly irritating; Animals exposed to high inhalation dose have lung irritation and convulsions; Oral LD50 (rat) = 235 mg/kg; . . . would decompose before occupational exposure can occur. [HSDB] Spontaneously flammable; [Merck Index] Corrosive to skin and eyes; [eChemPortal: ERMA] The trialkylborons are not soluble nor reactive in water; Toxic to rats at nonpyrophoric concentrations; [Ullmann] Pyrophoric; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; [MSDSonline] See Tri-n-butylborane.
RCRA Requirements
[40 CFR 261.32; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from: http://www.gpoaccess.gov/ecfr as of December 15, 2004)] D003; A solid waste containing triethylboron may become characterized as a hazardous waste when subjected to testing for reactivity as stipulated in 40 CFR 261.23, and if so characterized, must be managed as a hazardous waste.
NFPA Hazard Classification
1 - Materials that, under emergency conditions, can cause significant irritation.
3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.
2 - Materials that readily undergo violent chemical changes at elevated temperatures and pressures.
W - No water: Materials that react violently or explosively with water.
Hazard Classes and Categories
Flam. Liq. 2 (16.4%)
Flammable liquids - Category 2
State Drinking Water Guidelines
(CA) CALIFORNIA 1000 ug/L /Boron/
(NH) NEW HAMPSHIRE 630 ug/L /Boron/
(ME) MAINE 1,400 ug/L /Boron/
(MN) MINNESOTA 1,000 ug/L /Boron/
(WI) WISCONSIN 960 ug/L /Boron/
Shipping Name/ Number DOT/UN/NA/IMO
[40 CFR 261.32; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from: http://www.gpoaccess.gov/ecfr as of December 15, 2004)] D003; A solid waste containing triethylboron may become characterized as a hazardous waste when subjected to testing for reactivity as stipulated in 40 CFR 261.23, and if so characterized, must be managed as a hazardous waste.
Skin, Eye, and Respiratory Irritations
... Strong irritant
... May produce irritation of the nasal mucous membranes, the respiratory tract, and eyes. /Boron compounds/
安全と保護具
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Preventive Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
All equipment should be fully enclosed and carefully designed to eliminate any likelihood of autoignition. All equipment must be purged before opening. All possible sources of ignition should be eliminated and processes in which boron hydrides are heated must be minutely controlled. Automatic leak detectors with visual and acoustic warning signals should be fitted. Where possible, processes should be automated or operated by remote control. /Boron hydrides/
All containers should be thoroughly flushed before maintenance work is carried out on them and, in event of leakage, only persons with adequate personal protective equipment should be allowed in vicinity of containers. /Boranes/
Other Standards Regulations and Guidelines
Limit for livestock is 5 ug/ml boron in water. /Boron/
0.5 mg/l maximum (USSR) /Boron in drinking water/
毒性情報
Environmental Fate
TERRESTRIAL FATE: Triethylboron is spontaneously flammable in air and reacts with water(1). Triethylboron should have a very short existence in the environment(SRC).
AQUATIC FATE: Triethylboron is spontaneously flammable in air and reacts with water(1). Triethylboron should have a very short existence in the environment(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), triethylboron, which has an estimated vapor pressure of 53 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Triethylboron is spontaneously flammable in air and reacts with water(3). Triethylboron should have a very short existence in the environment(SRC).
Artificial Pollution Sources
Triethylboron's production and use as an igniter or fuel for jet and rocket engines, fuel additive, olefin polymerization catalyst, and as a chemical intermediate(1) may result in its release to the environment through various waste streams(SRC).
Probable Routes of Human Exposure
Occupational exposure to triethylboron may occur through inhalation and dermal contact with this compound at workplaces where triethylboron is produced or used. When used commercially, triethylboron would need to be handled in an inert atmosphere. The high reactivity, rapid decomposition, and commercial handling techniques suggest that triethylboron would decompose before occupational exposure can occur, should small amounts be released. Exposure to the general population is not be expected because of the spontaneous decomposition of triethylboron on contact with oxygen or moisture. (SRC)
Environmental Fate/Exposure Summary
Triethylboron's production and use as an igniter or fuel for jet and rocket engines, fuel additive, olefin polymerization catalyst, and as a chemical intermediate may result in its release to the environment through various waste streams. If released to air, an estimated vapor pressure of 53 mm Hg at 25 °C indicates triethylboron will exist solely as a vapor in the ambient atmosphere. Triethylboron is spontaneously flammable in air and reacts with water. These rapid reactions should dominate over all other environmental fate processes, and triethylboron should have a very short existence in the environment. Occupational exposure to triethylboron may occur through inhalation and dermal contact with this compound at workplaces where triethylboron is produced or used. When used commercially, triethylboron would need to be handled in an inert atmosphere. The high reactivity, rapid decomposition, and commercial handling techniques suggest that triethylboron would decompose before occupational exposure can occur, should small amounts be released. Exposure to the general population is not be expected because of the spontaneous decomposition of triethylboron on contact with oxygen or moisture. (SRC)
法規制情報
RCRA Requirements
[40 CFR 261.32; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from: http://www.gpoaccess.gov/ecfr as of December 15, 2004)] D003; A solid waste containing triethylboron may become characterized as a hazardous waste when subjected to testing for reactivity as stipulated in 40 CFR 261.23, and if so characterized, must be managed as a hazardous waste.
State Drinking Water Guidelines
(CA) CALIFORNIA 1000 ug/L /Boron/
(NH) NEW HAMPSHIRE 630 ug/L /Boron/
(ME) MAINE 1,400 ug/L /Boron/
(MN) MINNESOTA 1,000 ug/L /Boron/
(WI) WISCONSIN 960 ug/L /Boron/
安全データ
- F
- 2-10
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- ED2100000
- ridadr
- UN 3399 4.3/PG 2
- 毒性
- LD50 orl-rat: 235 mg/kg 14KTAK -,693,64
- PRTR法
- 第一種指定化学物質
- hs_code
- 29319090
- risk_code
- 12-17-19-22-34-66-67-65-62-51/53-48/20-11-40-37
- 化審法
- (2)-2978
- 安衛法
- 有機則 第二種有機溶剤等
- 消防法
- 危-4-1-II
- hazard_code
- F+,C,N,F
- safety_code
- 7-9-16-23-26-29-33-36/37/39-43-45-61-43A-62
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Aquatic Chronic 2Asp. Tox. 1Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1ASTOT RE 1 InhalationSTOT SE 3
- ストレージクラス
- 4.3 - Hazardous materials which set free flammable gases upon contact with water
- 有毒物質データの
- 97-94-9(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used as a fuel additive, fuel igniter, polymerization catalyst, and intermediate; [HSDB] Used in organic syntheses (radical initiator and blocking agent); [Merck Index]
Petroleum Production and Refining [Category: Industry]
Fuel additive; igniter or fuel for jet and rocket engines; olefin polymerization catalyst; intermediate
Triethylborane (TEB) is used by the USAF as a fuel additive to nonhypergolic propellants to increase fuel ignition speed and retard engine flameout.
General Manufacturing Information
Borane, triethyl-: ACTIVE
Mixtures with triethylaluminum have been used as hypergolic igniters for rocket propulsion systems.
Because of the low volume of organoboranes and the expensive raw material that are required for manufacture, organoboranes are expensive /chemical products/.
応用分野
用途燃料添加剤、ジェットエンジン、ロケットエンジンの着火剤もしくは燃料、ポリオレフィン重合触媒 (HSDB (2010))
使用Triethylborane reacted with 8-hydroxyquinoline to synthesize three 8--hydroxyquinolato (q) boron compounds B(C2H5)2q (1), BPh2q (2), and B(2-naph)2q (3).
調製方法
製造方法Triethylborane is prepared by reacting triethylaluminium with boron halides or by reacting diborane with ethylene: (C₂H₅)₃Al + BCl₃ → (C₂H₅)₃B + AlCl₃B₂H₆ + CH₂=CH₂ → (C₂H₅)₃B
合成方法ジエチル亜鉛とトリエトキシボランの反応
純化方法It distils at 56-57o/220mm. It can also be purified via its ammonia addition complex which is distilled in a high vacuum, decomposed with dry HCl, and the Et3B is distilled out. It is commercially available as a 15% solution in hexane or as 1M solution in hexane. [Brown J Am Chem Soc 67 376 1945, Bamford et al. J Chem Soc 471 1946, Lin et al. J Organomet Chem 312 277 1986, Beilstein 4 III 1957, 4 IV 4359.]
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