4-(브로모메틸)벤젠붕소산피나콜에스테르

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

HCID 3734506

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 138500-85-3
표준 SMILES: CC1(C)OB(c2ccc(CBr)cc2)OC1(C)C
InChIKey: CBUOGMOTDGNEAW-UHFFFAOYSA-N
분자식: C13H18BBrO2
평균 분자량: 297 g/mol
단동위원소 질량: 296.05832232

이름 및 식별자

우선 이름: 2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
현지명: 4-(브로모메틸)벤젠붕소산피나콜에스테르
영어명: 4-(Bromomethyl)benzeneboronic acid pinacol ester
분자식: C13H18BBrO2
분자량: 297

이름 및 동의어

138500-85-32-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID00395701RefChem:251848DTXCID90346560679-122-74-(Bromomethyl)benzeneboronic acid pinacol ester4-Bromomethylphenylboronic acid pinacol ester4-Bromomethylphenylboronic acid, pinacol esterMFCD021794934-(Bromomethyl)phenylboronic Acid Pinacol Ester

이름 더 보기

4-(브로모메틸)벤젠붕소산피나콜에스테르4-(Bromomethyl)phenylboronic acid pinacol4-(Bromomethyl)benzeneboronic acid pinacol este4-Bromomethylphenylboronic acid pinacol ester 95%4-(BROMOMETHYL)BENZENEBORONICACIDPINACOLESTER,95%tert-butyl 3-allyl-3-hydroxyazetidine-61-carboxylate4-(bromomethyl)phenylboronic acid pinacol cyclic ester4-(Bromomethyl)benzeneboronic acid pinacol cyclic ester

1,3,2-DIOXABOROLANE, 2-[4-(BROMOMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-AB11263AS-24004-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide(4-bromomethylphenyl)boronic acid pinacol ester4-Bromomethyl phenyl boronic acid pinacol esterEN300-1241182-[4-(BROMOMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABORONATE

데이터베이스 식별자

CAS: 138500-85-3
PubChem CID: 3734506
DTXSID: DTXSID00395701
EC Number: 679-122-7
Nikkaji: J903.148K

물성

구조 계산 물성

극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 257

물리화학적 성질

녹는점: 85 · 85-89 °C
끓는 점: 351.2 · 351.2±25.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 톨루엔에 용해됨
물리적 상태: 가루
색상: 흰색에서 황백색까지
BRN: 7921808 · 7921808
InChI: InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3
InChIKey: CBUOGMOTDGNEAW-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1C1=CC=C(CBr)C=C1

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (92.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 26 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.