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ほう酸トリエチル

Triethyl borate

HCID 9009
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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
150-46-9
標準SMILES
CCOB(OCC)OCC
InChIKey
AJSTXXYNEIHPMD-UHFFFAOYSA-N
分子式
C6H15BO3
平均分子量
145.99 g/mol
単同位体質量
146.1114245

概要

Ethyl borate appears as a clear colorless liquid. Less dense than water. Vapors heavier than air.

名称と識別子

優先名称
Triethyl borate
IUPAC
triethyl borate
現地名
ほう酸トリエチル
英語名
Triethyl borate
分子式
C6H15BO3
分子量
145.99

名称と別名

TRIETHYL BORATE150-46-9TriethoxyboraneBoron triethoxideTriethoxyboronBoron ethoxideBoric acid, triethyl esterEthyl borateBorane, triethoxy-Ethyl borate ((EtO)3B)Boric acid (H3BO3), triethyl esterTriethylester kyseliny borite
名称をさらに表示
ほう酸トリエチルトリエトキシボリントリエチルボラートトリエトキシボラントリエトキシほう素ホウ酸エチルエステルトリエチルボラート,6Nトリエトキシボラン,6Nトリエチル=ボラートほう酸トリエチル, 98.5+%トリエチルボラート(ほう酸トリエチル)B(OC2H5)3TriethoxyborineTriethoxy borate
NSC 2055TriethylboratDTXSID2041674BRN 1699052WXW2J80ORXB(OEt)3EINECS 205-760-9Triethylester kyseliny borite [Czech]

データベース識別子

CAS
150-46-9、34099-73-5、51845-86-4
PubChem CID
9009
DTXSID
DTXSID2041674
ChEBI
CHEBI:38916
UNII
WXW2J80ORX
EC Number
205-760-9
Nikkaji
J44.122H

物性

構造計算による物性補完中

極性表面積
27.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
6
重原子数
10
形式電荷
0
複雑度
55.7

実験および物理化学的性質

Chemical Classes · 2 件

Metals -> Metalloid Compounds (Boron)

Flammable agents - 3rd degree

Vapor Pressure10.98 [mmHg]
Physical Description · 3 件

Ethyl borate appears as a clear colorless liquid. Less dense than water. Vapors heavier than air.

CBI; Liquid

Colorless liquid with an alcoholic odor; [Air Products MSDS]

物理化学的性質

融点
-84.5 °C · -84.5 °C
沸点
117 · 117-118 °C(lit.)
比重(密度)
0.858 g/mL · 0.858 g/mL at 25 °C(lit.)
蒸気密度
5.04 · 5.04 (vs air)
屈折率
20 · n20/D 1.374(lit.)
闪点
52 °F · 52 °F
貯蔵温度
0 · 0-6°C
溶解性
アルコールおよびエーテルと混和する。
外見
液体
比重
0.864 · 0.864
色
無色
水溶解度
分解する
BRN
1699052 · 1699052

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 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 186 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 · 4 件

Chemical: Boric acid (H3BO3), triethyl ester

Boric acid (H3BO3), triethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Boric acid (H3BO3), triethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Triethyl borate (EC: 205-760-9)

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.)

DOT LabelFlammable Liquid
Fire Hazards · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards Summary · 1 件

化学と産業

用途と製造

Uses · 2 件

Used in semiconductor processing; [Air Products MSDS]

Semiconductor Manufacturing [Category: Industry]

U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesSemiconductor and photovoltaic agent
Industry UsesSemiconductor and photovoltaic agent
General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

Boric acid (H3BO3), triethyl ester: ACTIVE

応用分野 · 2 件

用途重合触媒や有機合成試薬、殺菌剤、防かび剤、防汚剤、燃料など

使用Antiseptics, disinfectants, antiknock agent. Triethyl borate is used as a solvent in resins, paints, varnishes, adhesives and sealant chemicals. It is used as a catalyst of synthetic waxes and resins. It is an active component of flame retardants in the textile industry and in welding fluxes. It is used to prepare m-tolyl-acetic acid ethyl ester by reacting with 1-bromomethyl-3-methyl-benzene and carbon monoxide using as 1,5-hexadiene dium chloride as a catalyst. Further, it is used in pyrotechnics. Triethyl borate may be used as boron source to synthesize lithium borophosphates, alumina borosilicate ceramic nanofibres and boron-doped single wall carbon nanotubes.CVD precursor for boron modified SiO2 in microelectronics Intermediate for organic-modified borosiloxanes.

調製方法

製造方法Triethyl borate can be prepared by adding anhydrous ethanol with boric acid or boron trioxide. Can be purified via distillation.

純化方法Dry it over sodium, then distil it. Also fractionate it through a gauze packed column. [Charnlet et al. J Chem Soc 2288 1952, as for tributyl borate Johnson & Tompkins Org Synth Coll Vol II 106 1943, Beilstein 1 III 1339, 1 IV 1365.]

関連反応

90 件
反応記録を作成
HRID 9196 の反応式
HRID 9196反応物としてuspto-grants-2006_08
HRID 81494 の反応式
HRID 81494反応物としてuspto-grants-2014_09
HRID 104504 の反応式
HRID 104504反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 122257 の反応式
HRID 122257反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 257139 の反応式
HRID 257139反応物としてuspto-grants-1993_11
HRID 279062 の反応式
HRID 279062反応物としてuspto-grants-2002_03
HRID 279064 の反応式
HRID 279064反応物としてuspto-grants-2002_03
HRID 283477 の反応式
HRID 283477反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
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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
InChI
1S/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3
InChIKey
AJSTXXYNEIHPMD-UHFFFAOYSA-N
SMILES
CCOB(OCC)OCC
CAS データベース
150 · 150-46-9(CAS DataBase Reference)
NISTの化学物質情報
Boric acid, triethyl ester(150-46-9)
EPAの化学物質情報
Boric acid (H3BO3), triethyl ester (150-46-9)

化学的性質

化学的特性Triethyl borate is a Colorless liquid; mild odor. Hydrolyzes rapidly depositing boric acid in finely divided crystalline form.

A mild eye irritant; [RTECS] Decomposed by water; An eye irritant; A moderate skin and respiratory tract irritant; Inhalation and skin absorption may cause CNS effects; Harmful by inhalation (severe overexposure may cause respiratory failure); [Air Products MSDS] See Tributyl borate and Trimethyl borate.

DOT ID and Guide1176 129
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 件

Borates behave similarly to esters in that they react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters/borates with alkali metals and hydrides.

DOT Hazard Classification · 4 件

Ethyl borate

UN1176

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsHighly flammable. The liquid decomposed in water to form ethyl alcohol and boric acid.
Hazard Classes and Categories · 3 件

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

Flammable agents - 3rd degree

安全と保護具

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

安全データ

F
21
wgk
2
tsca
TSCA listed
rtecs
ED5075000
ridadr
UN 1176
毒性
eye-rbt 100 mg MLD 14KTAK -,706,64
PRTR法
第一種指定化学物質
hs_code
29209085
risk_code
11
化審法
(2)-2101
消防法
危-4-1-II
hazard_code
F
safety_code
7-16-23-9-33
hazard_class
3
packing_group
II
Hazard Classifications
Eye Irrit. 2Flam. Liq. 2STOT SE 3
ストレージクラス
3 - Flammable liquids

上流・下流製品情報

上流原料

ビス(ジフェニルホスフィノ)メタンジフェニル-2-ピリジルホスフィンビス(3,5-ジメチルフェニル)ホスフィンエタノール

下流製品

2-フリルボロン酸4-フルオロ-1-ナフタレンボロン酸フェニル-D5-ボロン酸10-(2-ナフチル)アントラセン-9-ボロン酸2,6-ジクロロフェニルボロン酸イソプロピルボロン酸3-(9H-カルバゾール-9-イル)フェニルボロン酸6-(Hydroxymethyl)-2-naphthol2-(メトキシメトキシ)フェニルボロン酸ベンゾ[C][1,2,5]オキサジアゾール-5-ボロン酸6,9-ジフェニル-9H-カルバゾール-3-ボロン酸BORONIC ACID, [4-CHLORO-3-(TRIFLUOROMETHOXY)PHENYL]-

補足説明

定義ChEBI: A member of the class of borate esters obtained by the formal condensation of three equivalents of ethanol with boric acid.