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トリエチルボラン (約1mol/Lテトラヒドロフラン溶液)

Triethylborane

HCID 7357
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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
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基本情報

CAS
97-94-9
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

Triethylborane97-94-9TRIETHYLBORONBorane, triethyl-TriethylborineBoron triethylBoron ethylZ3S980Z4P3DTXSID2052653RefChem:191525DTXCID9031226202-620-9
名称をさらに表示
トリエチルボラン (約1mol/Lテトラヒドロフラン溶液)トリエチルボラントリエチルほう素トリエチルボロントリエチルボラン,N-ヘキサン溶液トリエチルボラン,テトラヒドロフラン溶液トリエチルボラン (約11%テトラヒドロフラン溶液, 約1mol/L)トリエチルボラン,N‐ヘキサン溶液トリエチルボラン, 1M SOLN. IN THFトリエチルボラン 溶液トリエチルボラン,テトラヒドロフラン溶液,AcroSealR(C2H5)3BBorethylTriethylbotriethyl-boranborane,triethyl-
HSDB 897EINECS 202-620-9UNII-Z3S980Z4P3BRN 1731462BEt3Et3BTriethylborane (1.0 M in THF)4-04-00-04359 (Beilstein Handbook Reference)

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補完中

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

Chemical ClassesMetals -> Metalloid Compounds (Boron)
Density0.70 g/cu cm at 23 °C
Color/Form · 2 件

Colorless liquid

Colorless fuming liquid

Solubility · 2 件

Soluble in alcohol, ether

Miscible with most organic solvents; immiscible with water

Flash Point-33 °F (-36 dec C) (open cup) /table/
Boiling Point95 °C
DecompositionWhen heated to decomposition or upon contact with air it emits toxic acrid smoke and irritating fumes.
Melting Point-93 °C
Vapor Pressure · 2 件

53.0 [mmHg]

53 mm Hg at 25 °C /est/

Refractive IndexIndex of refraction: 1.3971
Heat of Combustion20,000 BTU/LB
Physical Description

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 · 6 件

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 · 3 件

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

Fire PotentialSpontaneously flammable in air
Hazards Summary · 1 件

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 · 1 件

[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.

化学と産業

用途と製造

Uses · 4 件

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.

Methods of ManufacturingReaction of triethylaluminum and boron halide, or diborane and ethylene
General Manufacturing Information · 3 件

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 · 3 件

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.]

関連反応

233 件
反応記録を作成
HRID 10743 の反応式
HRID 10743反応物としてuspto-grants-2006_08
HRID 11916 の反応式
HRID 11916反応物としてuspto-grants-2006_08
HRID 12032 の反応式
HRID 12032反応物としてuspto-grants-2010_06
HRID 14283 の反応式
HRID 14283反応物としてuspto-grants-2010_06
HRID 30553 の反応式
HRID 30553反応物としてuspto-grants-2008_09
HRID 30825 の反応式
HRID 30825反応物としてuspto-grants-2008_09
HRID 52335 の反応式
HRID 52335反応物としてuspto-grants-1997_04
HRID 52336 の反応式
HRID 52336反応物としてuspto-grants-1997_04
1 / 30 ページ

化合物ノート

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このページの内容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
その他の操作
ノートを作成反応を作成見積依頼を出す
Colorless liquid; [Merck Index]

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

EPA Hazardous Waste NumberD003; A waste containing triethylboron may (or may not) be characterized a hazardous waste following testing for the reactivity characteristics as prescribed by the Resource Conservation and Recovery Act (RCRA) regulations.
NFPA Hazard Classification · 4 件

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 · 2 件

Flam. Liq. 2 (16.4%)

Flammable liquids - Category 2

State Drinking Water Guidelines · 5 件

(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/

Federal Drinking Water GuidelinesEPA 600 ug/L /Boron/
Shipping Name/ Number DOT/UN/NA/IMO · 1 件

[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.

Explosive Limits and Potential... May ... explode in moist air ... /Boranes/
Skin, Eye, and Respiratory Irritations · 2 件

... Strong irritant

... May produce irritation of the nasal mucous membranes, the respiratory tract, and eyes. /Boron compounds/

安全と保護具

Fire Fighting ProceduresDo NOT use halogenated extinguishing agents.
Disposal Methods · 1 件

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 · 3 件

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 · 2 件

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 · 3 件

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).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Medical SurveillanceNo specific considerations are needed for boric acid or borates except for general health and liver and kidney function. /Boric acid and borates/
Soil Adsorption/MobilityTriethylboron is spontaneously flammable in air and reacts with water(1). Adsorption to soil or suspended particles in water is not considered an important environmental fate for triethylboron(SRC).
Artificial Pollution Sources · 1 件

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).

Environmental BiodegradationTriethylboron is spontaneously flammable in air and reacts with water(1). Biodegradation in not considered an important environmental fate for triethylboron(SRC).
Environmental BioconcentrationTriethylboron is spontaneously flammable in air and reacts with water(1). Bioconcentration is not considered an important environmental fate for triethylboron(SRC).
Volatilization from Water/SoilTriethylboron is spontaneously flammable in air and reacts with water(1). Volatilization from water or soil is not considered an important environmental fate for triethylboron(SRC).
Non-Human Toxicity Excerpts/LABORATORY ANIMALS: Acute Exposure/ Animal /inhalation/ experiments show that the vapor ... causes pulmonary irritation and convulsions.
Environmental Abiotic DegradationTriethylboron is spontaneously flammable in air and reacts with water(1). These reactions should be the dominant fate processes for triethylboron(SRC).
Probable Routes of Human Exposure · 1 件

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 · 1 件

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 · 1 件

[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 · 5 件

(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/

Federal Drinking Water GuidelinesEPA 600 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)

上流・下流製品情報

下流製品

フルバスタチンナトリウム水和物テトラエチルほう酸ナトリウムアトルバスタチン1-(ヒドロキシメチル)ナフタレン1-フェニル-1-プロパノールイソブタン2-ヘキサノンN-エチルシクロヘキシルアミン4'-エチルプロピオフェノン2-エチルベンゾニトリルトリエチルガリウムα,β-ジメチルベンゼン-1-プロパノールα-エチルベンジルアミンETHYL-O-TOLYL KETONE6-ETHYL-2-METHOXYLNAPHTHALINE4-エチルニトロベンゼン4-エチルベンゼンスルホンアミド9‐ボラビシクロ[3.3.1]ノナン,ダイマー