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

HCID 2763171

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 72824-04-5
표준 SMILES: C=CCB1OC(C)(C)C(C)(C)O1
InChIKey: YMHIEPNFCBNQQU-UHFFFAOYSA-N
분자식: C9H17BO2
평균 분자량: 168.04 g/mol
단동위원소 질량: 168.13216018

이름 및 식별자

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

이름 및 동의어

4,4,5,5-tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolaneRefChem:507166672-877-3Allylboronic acid pinacol ester72824-04-52-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneAllylboronic acid, pinacol cyclic esterMFCD000133474,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolaneallyl boronic acid pinacol esterAllylboronic acid, pinacol esterPINACOLYL 2-PROPENYLBORONATE

이름 더 보기

AKOS BRN-1082PINACOL ALLYLBORONATEAllyl pinacol boronateAllylboronic acid pinacolateAllylboronic acid picol esterAllyl boronic acid pinal ester

2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (stabilized with Phenothiazine)4,4,5,5-TETRAMETHYL-2-(2-PROPEN-1-YL)-1,3,2-DIOXABOROLANE1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-propenyl)-allylboronic acid pinacolesterSCHEMBL838241allyl-boronic acid pinacol esterDTXSID70376784YMHIEPNFCBNQQU-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 72824-04-5
PubChem CID: 2763171
DTXSID: DTXSID70376784
EC Number: 672-877-3
Nikkaji: J306.393C

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: 12
형식 전하: 0
복잡도: 171

물리화학적 성질

끓는 점: 50 · 50-53 °C/5 mmHg (lit.)
밀도: 0.896 g/mL · 0.896 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4268(lit.)
인화점: 115 °F · 115 °F
저장 조건: 2 · 2-8°C
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 액체
색상: 무색의
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
BRN: 4244068 · 4244068
InChI: InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6H,1,7H2,2-5H3
InChIKey: YMHIEPNFCBNQQU-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1CC=C

화학적 성질

Clear corless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (98.3%): 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 58 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (98.3%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29310095
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Allylboronic acid pinacol ester can act as reagent used for Palladium-catalyzed Suzuki-Miyaura cross-coupling reactions and olefin metathesis; Intermolecular radical additions; Allylboration of aldehydes catalyzed by chiral spirobiindane diol (SPINOL) based phosphoric acids and Cobalt-catalyzed regioselective hydrovinylation of dienes with alkenes ; Nucleic acid-templated energy transfer leading to a photorelease reaction .