CAS 166330-03-6 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (HCID 10955110)

基本情報

CAS: 166330-03-6
標準SMILES: CC1(C)OB(CBr)OC1(C)C
InChIKey: KBGMAXNDJAGTDD-UHFFFAOYSA-N
分子式: C7H14BBrO2
平均分子量: 220.9 g/mol
単同位体質量: 220.02702219

名称と識別子

優先名称: 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
現地名: 2-(ブロモメチル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン
英語名: (Bromomethyl)boronic Acid Pinacol Ester
分子式: C7H14BBrO2
分子量: 220.9

名称と別名

166330-03-62-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID90449681RefChem:253338DTXCID60400502679-528-4(Bromomethyl)boronic Acid Pinacol EsterBromomethylboronic acid pinacol ester1,3,2-Dioxaborolane, 2-(bromomethyl)-4,4,5,5-tetramethyl-C7H14BBrO2MFCD09271779Bromomethylboronic acid, pinacol ester

名称をさらに表示

2-(ブロモメチル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン90.0%(GC&Bromomethyl)boronic Acid Pinacol Este2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane >

(Bromomethyl)boronicAcidPinacolEsterAKOS016007637PB41155EN300-67235A50013Z1070087794pinacol (bromomethyl)boronateBCP08431

データベース識別子

CAS: 166330-03-6
PubChem CID: 10955110
DTXSID: DTXSID90449681
UNII: 9K6Q729KUL
EC Number: 679-528-4

物性

構造計算による物性

極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 143

物理化学的性質

沸点: 68 °C · 68 °C / 6mmHg
比重(密度): 1.26 · 1.26
屈折率: 1.452 · 1.4520-1.4560
闪点: 62.8 · 62.8±22.6℃
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: clear liquid
色: Colorless to Light orange to Yellow
InChI: InChI=1S/C7H14BBrO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3
InChIKey: KBGMAXNDJAGTDD-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1CBr
CAS データベース: 166330 · 166330-03-6

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (60%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (60%)

安全データ

PRTR法: 第一種指定化学物質
hs_code: 2931900090
消防法: 危-4-2-III

化学と産業

応用分野 · 1 件

説明(Bromomethyl)boronic Acid Pinacol Ester, also known as 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (BMTMD), is an organoboron compound extensively researched for its potential applications in organic synthesis and catalysis. It is a versatile reagent, exhibiting a broad range of reactivity suitable for various reactions, including Diels-Alder, Michael, and Wittig reactions. Moreover, BMTMD proves valuable as a catalyst in the synthesis of diverse compounds like heterocycles, amines, polymers (such as polyesters and polyamides), and organometallic compounds (including boronates, boronic esters, and boronic acids). Its ability to react with various functional groups, including carbonyl and carboxyl, facilitates nucleophilic addition and substitution mechanisms. Additionally, BMTMD can interact with amines, alcohols, and sulfonates, where nucleophilic addition and substitution mechanisms are involved depending on the functional group.