2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 59351393

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1227068-84-9
표준 SMILES: CC1(C)OB(C2=CCC(F)(F)CC2)OC1(C)C
InChIKey: WSLRIJFIFPFAFB-UHFFFAOYSA-N
분자식: C12H19BF2O2
평균 분자량: 244.09 g/mol
단동위원소 질량: 244.1446163

이름 및 식별자

우선 이름: 2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
영어명: 2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane
분자식: C12H19BF2O2
분자량: 244.09

이름 및 동의어

1227068-84-92-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID80731608RefChem:251769DTXCID70682352837-348-54,4-Difluorocyclohexene-1-boronic Acid Pinacol EsterC12H19BF2O24,4-Difluoro-1-cyclohexene-1-boronic acid pinacol esterMFCD116179242-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(4,4-difluorocyclohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

이름 더 보기

4,4-difluorocyclohexyl boronic esterE)-1-Ethoxyethylene-2-boronic acid pinacol ester2-(4,4-DIFLU0R0CYCL0HEX-1- EN-l-YD-4, 4, 5, 5- TETRAMETHYL-1, 3, 2-

2-(4,4-DIFLUORO-1-CYCLOHEXEN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANESCHEMBL6620741,3,2-DIOXABOROLANE, 2-(4,4-DIFLUORO-1-CYCLOHEXEN-1-YL)-4,4,5,5-TETRAMETHYL-4,4-DIFLUOROCYCLOHEX-1-ENYLBORONIC ACID PINACOL ESTER(4,4-DIFLUOROCYCLOHEX-1-EN-1-YL)BORONIC ACID PINACOL ESTERBCP32085FT-0762706A855949

데이터베이스 식별자

CAS: 1227068-84-9
PubChem CID: 59351393
DTXSID: DTXSID80731608
EC Number: 837-348-5

물성

구조 계산 물성

극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 334

물리화학적 성질

끓는 점: 233.3 · 233.3±50.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 1건

용도2-(4,4-Difluoro-1-cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, is used as a reagent in the preparation of 4-(cycloalkanyloxy)benzenesulfonamide derivatives as inhibitors of voltage-gated sodium channel for prevention and treatment of pains.