브로모메틸보론산,피나콜에스테르

2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 10955110

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 166330-03-6
표준 SMILES: CC1(C)OB(CBr)OC1(C)C
InChIKey: KBGMAXNDJAGTDD-UHFFFAOYSA-N
분자식: C7H14BBrO2
평균 분자량: 220.9 g/mol
단동위원소 질량: 220.02702219

이름 및 식별자

우선 이름: 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
현지명: 브로모메틸보론산,피나콜에스테르
영어명: (Bromomethyl)boronic Acid Pinacol Ester
분자식: C7H14BBrO2
분자량: 220.9

이름 및 동의어

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

이름 더 보기

브로모메틸보론산,피나콜에스테르90.0%(GC&Bromomethyl)boronic Acid Pinacol Este2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane >

(Bromomethyl)boronicAcidPinacolEsterAKOS016007637PB41155EN300-67235A50013Z1070087794pinacol (bromomethyl)boronateBCP08431

데이터베이스 식별자

CAS: 166330-03-6
PubChem CID: 10955110
DTXSID: DTXSID90449681
UNII: 9K6Q729KUL
EC Number: 679-528-4
Nikkaji: J1.147.016E

물성

구조 계산 물성

극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 143

물리화학적 성질

끓는 점: 68 °C · 68 °C / 6mmHg
밀도: 1.26 · 1.26
굴절률: 1.452 · 1.4520-1.4560
인화점: 62.8 · 62.8±22.6℃
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 투명한 액체
색상: 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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

안전 데이터

HS 번호: 2931900090

화학 및 산업

응용 분야 · 1건

개요(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.