1,3,2-디옥사보롤란,2-(디클로로메틸)-4,4,5,5-테트라메틸-

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

HCID 11042041

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 83622-41-7
표준 SMILES: CC1(C)OB(C(Cl)Cl)OC1(C)C
InChIKey: GQFQFYFLABSDDS-UHFFFAOYSA-N
분자식: C7H13BCl2O2
평균 분자량: 210.89 g/mol
단동위원소 질량: 210.0385652

이름 및 식별자

우선 이름: 2-(Dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
현지명: 1,3,2-디옥사보롤란,2-(디클로로메틸)-4,4,5,5-테트라메틸-
영어명: 1,3,2-Dioxaborolane, 2-(dichloroMethyl)-4,4,5,5-tetraMethyl-
분자식: C7H13BCl2O2
분자량: 210.89

이름 및 동의어

83622-41-72-(dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID40453031RefChem:253701DTXCID00403850870-870-11,3,2-Dioxaborolane, 2-(dichloromethyl)-4,4,5,5-tetramethyl-MFCD27976342AKOS028108839AS-55673Pinacol (dichloromethyl) boronate, >=95%CS-0061124

이름 더 보기

1,3,2-디옥사보롤란,2-(디클로로메틸)-4,4,5,5-테트라메틸-Dichloromethyl pinacolboronatePinacol (dichloromethyl) boronate >=95%(Dichloromethyl)boronic Acid Pinacol Ester2-(Dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane（WS203860）

W17646Z1861999629Pinacol (dichloromethyl) boronateGQFQFYFLABSDDS-C7H13BCl2O2A902221SCHEMBL3332568Pinacol (Dichloromethyl)boronate

데이터베이스 식별자

CAS: 83622-41-7
PubChem CID: 11042041
DTXSID: DTXSID40453031
EC Number: 870-870-1
Nikkaji: J1.955.239J

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: 12
형식 전하: 0
복잡도: 166

물리화학적 성질

끓는 점: 103 °C · 103 °C(Press: 20 Torr)
밀도: 1.1423 · 1.1423
굴절률: 1.4511 · n/D 1.4511
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
InChI: 1S/C7H13BCl2O2/c1-6(2)7(3,4)12-8(11-6)5(9)10/h5H,1-4H3
InChIKey: GQFQFYFLABSDDS-UHFFFAOYSA-N
SMILES: B1(OC(C(O1)(C)C)(C)C)C(Cl)Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

안전 데이터

wgk: WGK 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Pinacol (dichloromethyl) boronate is a general reagent that was employed by Prof. Greg C. Fu and coworkers to achieve the iterative synthesis of asymmetric (secondary) alkyl boronate esters. These can be further derivatized through a growing suite of chemical transformations developed in the last decade (cross coupling, oxidation, amination, halogenation) that proceed with stereochemical fidelity.