Triethanolamine borate (HCID 84862)

名称と識別子

優先名称: Triethanolamine borate
IUPAC: 2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
現地名: ほう酸トリエタノールアミン
英語名: Triethanolamine borate
分子式: C6H12BNO3
分子量: 156.98

名称と別名

283-56-72,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecaneBoratraneBoratranAtracor TNSC 5220BORIC ACID, TRIS(2-AMINOETHYL) ESTEREINECS 206-003-52N1AHN0X56BRN 07745362,2',2''-Nitrilotriethanol cyclic borateNSC-5220

名称をさらに表示

ほう酸トリエタノールアミン1-ボラ-5-アザ-2,8,9-トリオキサビシクロ[3.3.3]ウンデカンほう素2,2',2''-ニトリロトリスエタノラート2,8,9-トリオキサ-5-アザ-1-ボラビシクロ[3.3.3]ウンデカン1-ボラ-2,8,9-トリオキサ-5-アザビシクロ[3.3.3]ウンデカン2,6-(オキシエチレン)-1,3-ジオキサ-6-アザ-2-ボラシクロオクタン1-アザ-4,6,11-トリオキサ-5-ボラビシクロ[3.3.3]ウンデカン1-アザ-5-ボラ-4,6,11-トリオキサビシクロ[3.3.3]ウンデカンアトラコールTトリエタノールアミンボラートボラトランほう酸トリエタノールアミンほう酸2,2',2''-ニトリロトリエチルトリエタノールアミンボラート4,6,11-トリオキサ-1-アザ-5-ボラビシクロ[3.3.3]ウンデカンほう素2,2′,2′′-ニトリロトリスエタノラートﾄﾘｴﾀﾉｰﾙｱﾐﾝ=ﾎﾞﾚｰﾄC6H12BNO3atracortTRIETHANOLAMINE BORATETriethanolaMine borate 97%TRIS(HYDROXYETHYL)AMINE BORATETRIHYDROXYTRIETHYLAMINE BORATE2,2',2''-Nitrilotriethyl borate

Boron, ((2,2',2''-nitrilotris(ethanolato))(3-))-2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecaneEthanol, 2,2',2''-nitrilotri-, cyclic borate4-04-00-01529 (Beilstein Handbook Reference)ARBORITE BINDER 75Ethanol, 2,2',2''-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1)TRIETHANOLAMINE BORATE (ESTER)Ethanol, 2,2',2''-nitrilotri-, cyclic borate (7CI)

データベース識別子

CAS: 15277-97-1、283-56-7
PubChem CID: 84862
DTXSID: DTXSID701355429
UNII: 2N1AHN0X56
EC Number: 206-003-5、239-317-6
Nikkaji: J25F

物性

構造計算による物性

極性表面積: 30.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 111

物理化学的性質

融点: 235 · 235-237 °C(lit.)
沸点: 149.6 · 149.6±39.0 °C(Predicted)
比重(密度): 1.13 · 1.13±0.1 g/cm3(Predicted)
貯蔵温度: Room Temperature, under inert atmosphere
溶解性: ジメチルスルホキシド
酸解離定数(Pka): 6.4 · 6.40±0.20(Predicted)
外見: 粉
色: 白い
臭い (Odor): 無臭
BRN: 774536 · 774536
InChI: InChI=1S/C6H12BNO3/c1-4-9-7-10-5-2-8(1)3-6-11-7/h1-6H2
InChIKey: NKPKVNRBHXOADG-UHFFFAOYSA-N
SMILES: B12OCCN(CCO1)CCO2
CAS データベース: 283 · 283-56-7

化学的性質

化学的特性White to off-white solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 26.1% (23 of 88) of reports.

Danger

H315 (29.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 88 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (29.5%)

Skin Irrit. 2 (100%)

安全データ

F: 10-21
wgk: 3
rtecs: YJ8968050
毒性: LD ivn-mus: >100 mg/kg EJMCA5 13,207,78
PRTR法: 第一種指定化学物質
hs_code: 29163990
risk_code: 36/37/38
化審法: (2)-2100
hazard_code: Xi
safety_code: 26-36/37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBoron, [[2,2',2''-(nitrilo-.kappa.N)tris[ethanolato-.kappa.O]](3-)]-, (T-4)-: ACTIVE

応用分野

使用Triethanolamine Borate is an intermediate in the synthesis of Silatrane (S433000) which can be used as a reversible cholinesterase inhibitor. Silatrane and its derivatives can also be used as antitumor agents.

一般的な説明Triethanolamine borate can be formed from the 1:1 aqueous solution of boric acid and triethanolamine. It is used as buffer.

調製方法 · 1 件

製造方法triethanolamine borate synthesis: Adding trimethyl borate into the reaction bottle62.7g (0.6mol), 74.6g (0.5mol) of triethanolamine and 300g of toluene are slowly heated to reflux for 1 hour at room temperature, then distillate is distilled out under normal pressure (65-100°C) while reaction is carried out, sampling is carried out by GC detection, after the reaction is finished, reduced pressure concentration is carried out until no liquid distillation is carried out, acetonitrile is added for recrystallization, filtration and drying are carried out, 68g of white solid is obtained, HPLC (high performance liquid chromatography) is 98.8%, and the yield is 86.6%.

上流・下流製品情報

上流原料

トルエンホウ酸ジエチルエーテル (無水)酢酸エチルリグロイントリエタノールアミン

下流製品

2,8,9-トリオキサ-5-アザ-1-シラビシクロ[3.3.3]ウンデカントリス[2-(2-メトキシエトキシ)エチル]アミン

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

ほう酸トリエタノールアミン

基本情報