4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolane (HCID 10997426)

이름 및 식별자

우선 이름: 4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolane
IUPAC: 4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
영어명: Isopropenylboronic acid pinacol ester
분자식: C9H17BO2
분자량: 168.04

이름 및 동의어

126726-62-34,4,5,5-tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolaneDTXSID70451202RefChem:284846DTXCID20402022627-007-7Isopropenylboronic acid pinacol ester2-Isopropenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(1-methylethenyl)-MFCD082768434,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane4,4,5,5-TETRAMETHYL-2-(1-METHYLETHENYL)-1,3,2-DIOXABOROLANE

이름 더 보기

2-Isopropenyl boronic acid pinacol esterIsopropenylboronic acid picol esterIsopropenylboronic acid pinacol este4,4,5,5-tetramethyl-2-(prop-1-en-2-yl)-1,3,2-Isopropenylboronic acid pinacol ester, 98%min4,4,5,5-Tetramethyl-2-(isopropenyl)-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,3-dioxaborolane

2-Isopropenylboronic acid, pinacol ester(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isopropeneSVSUYEJKNSMKKW-UHFFFAOYSA-N4,4,5,5-Tetramethyl-2-(1-methylethenyl)-1,3,2-dioxaborolane; 2-Isopropenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4,4,5,5-Tetramethyl-2-(isopropenyl)-1,3,2-dioxaborolane; 4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolane;2-Isopropenylboronic acid pinacol esterSCHEMBL25299469F3W76X8B2-(1-METHYLETHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

데이터베이스 식별자

CAS: 126726-62-3
PubChem CID: 10997426
DTXSID: DTXSID70451202
UNII: 69F3W76X8B
EC Number: 627-007-7
Nikkaji: J396.324A

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: 193

물리화학적 성질

녹는점: 157 · 157-161 °C
끓는 점: 47 · 47-49 °C/9 mbar
밀도: 0.894 g/mL · 0.894 g/mL at 25 °C
굴절률: 1.432 · 1.4320
인화점: 42 °C · 42 °C
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
색상: 투명하고 무색~갈색
InChI: InChI=1S/C9H17BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h1H2,2-6H3
InChIKey: SVSUYEJKNSMKKW-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1C(C)=C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (97.9%): 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+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)

안전 데이터

wgk: 3
tsca: No
ridadr: UN 1993
HS 번호: 29349990
risk_code: 10-36/37/38-43
hazard_code: Xi
safety_code: 16-26-36/37
포장분류: Ⅲ
위험 등급: IRRITANT
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Isopropenylboronic Acid Pinacol Ester, can be used as an intermediate in the synthesis of variety of cyclic and acyclic organic compounds. It is also shown that the α-Substituted Allyl/Croty of this compound can be used for highly Diastereo- and Enantioselective allylboration of aldehydes.