2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 2758015

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 126689-01-8
표준 SMILES: CC1(C)OB(C2CC2)OC1(C)C
InChIKey: XGBMQBPLWXTEPM-UHFFFAOYSA-N
분자식: C9H17BO2
평균 분자량: 168.04 g/mol
단동위원소 질량: 168.13216018

이름 및 식별자

우선 이름: 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
영어명: Cyclopropylboronic acid pinacol ester
분자식: C9H17BO2
분자량: 168.04

이름 및 동의어

126689-01-82-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneCyclopropylboronic acid pinacol esterDTXSID50374127RefChem:471147DTXCID90325158603-153-7cyclopropylboronic acid, pinacol esterMFCD056638471,3,2-DIOXABOROLANE, 2-CYCLOPROPYL-4,4,5,5-TETRAMETHYL-cyclopropyl boronic acid pinacol ester2-cyclopropyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

이름 더 보기

AKOS BRN-0606CAS:126689-01-8Cyclopropylboronic acid picol esterTriamcinolone Acetonide Impurity 17Cyclopropylboronic acid pinacol este2-CYCLOPROPYLBORONIC ACID, PINACOL ESTER2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-Cyclopropylboronic acid pinacol ester - [C2488]

(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropaneSCHEMBL584593Cyclopropylborate pinacol esterCyclopropylboronsaure-PinacolesterSBB088131AKOS0041192762-Cyclopropylboronic acid pinacol esterAB21938

데이터베이스 식별자

CAS: 126689-01-8
PubChem CID: 2758015
DTXSID: DTXSID50374127
EC Number: 603-153-7
Nikkaji: J396.329B

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: 181

물리화학적 성질

끓는 점: 146 °C · 146 °C
밀도: 0.922 g/mL · 0.922 g/mL at 25 °C
굴절률: 20 · n20/D 1.433
인화점: 104 °F · 104 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
색상: 무색의
InChI: InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3
InChIKey: XGBMQBPLWXTEPM-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1C1CC1

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (96.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (96.4%)

안전 데이터

wgk: 3
tsca: No
ridadr: UN 3272 3/PG 3
HS 번호: 29319090
risk_code: 10
hazard_code: Xi
safety_code: 16
포장분류: III
위험 등급: 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Cyclopropylboronic acid pinacol ester can be used:As a cyclopropylating reagent in the study of thiophenol S-cyclopropylation, catalyzed by copper(II) acetate.In one of the key synthetic steps for the preparation of 5-lipoxygenase activating protein (FLAP) inhibitor.