1-사이클로헥실비닐붕산

1-Cyclohexenylboronic acid

HCID 3862902CAS 89490-05-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OB(O)C1=CCCCC1
InChIKey: XZWQKJXJNKYMAP-UHFFFAOYSA-N
분자식: C6H11BO2
평균 분자량: 125.96 g/mol
단동위원소 질량: 126.08520999

이름 및 식별자

우선 이름: 1-Cyclohexenylboronic acid
IUPAC: cyclohexen-1-ylboronic acid
현지명: 1-사이클로헥실비닐붕산
영어명: 1-Cyclohexenylboronic acid
분자식: C6H11BO2
분자량: 125.96

이름 및 동의어

1-cyclohexenylboronic AcidRefChem:431640689-061-889490-05-1cyclohex-1-en-1-ylboronic acidcyclohexen-1-ylboronic acidcyclohexenylboronic acid1-CYCLOHEXEN-1-YL-BORONIC ACID1-Cyclohexen-1-ylboronic acid(CYCLOHEX-1-EN-1-YL)BORONIC ACIDCYCLOHEX-1-ENYLBORONIC ACIDCyclohexen-1-yl-Boronic Acid

이름 더 보기

1-사이클로헥실비닐붕산1-Cyclohexene boric acidohexen-1-yLCyclohexene boric acid1-Boronocyclohex-1-eneCLOHEXEN-1-YLBORONIC ACIDCyclohexene-1-boronicacid

MFCD02179497CYCLOHEXENE-1-BORONIC ACIDcyclohexen-1-yl boronic acid1-cyclohexeneboronic acidBoronic acid, 1-cyclohexen-1-yl-cyclohexene boronic acidcyclohexen-2-ylboronic acidcyclohex-1-en-ylboronic acid

데이터베이스 식별자

CAS: 89490-05-1
PubChem CID: 3862902
DTXSID: DTXSID90397532
UNII: EYS87MAP7B
EC Number: 689-061-8
Nikkaji: J1.739.225E

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 165 °C · 165°C
끓는 점: 261.9 · 261.9±33.0 °C(Predicted)
밀도: 1.05 · 1.05±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 가루
산도 계수 (pKa): 9.43 · 9.43±0.20(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2
InChIKey: XZWQKJXJNKYMAP-UHFFFAOYSA-N
SMILES: C1CCCCC=1B(O)O

화학적 성질

Off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: WGK 3
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-60-37
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Cyclohexenylboronic acid serves as an alkenyl substrate in a one-pot bimetal catalytic system with DABSO and O-benzoyl hydroxylamines to afford the corresponding sulfonamide product 4-(1-cyclohexen-1-ylsulfonyl)morpholine[2].