4,4-(디메틸시클로헥센-1-일)붕소산,피나콜에스테르

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

HCID 23142013

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 859217-67-7
표준 SMILES: CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIKey: JQEUELMRQYUNDS-UHFFFAOYSA-N
분자식: C14H25BO2
평균 분자량: 236.16 g/mol
단동위원소 질량: 236.19476044

이름 및 식별자

우선 이름: 2-(4,4-Dimethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(4,4-dimethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
현지명: 4,4-(디메틸시클로헥센-1-일)붕소산,피나콜에스테르
영어명: 4,4-(Dimethylcyclohexene-1-yl)boronic acid, pinacol ester
분자식: C14H25BO2
분자량: 236.16

이름 및 동의어

859217-67-72-(4,4-dimethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID60630948RefChem:455993DTXCID20581700815-306-72-(4,4-Dimethyl-1-cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4,4-(Dimethylcyclohexen-1-yl)boronic acid pinacol esterMFCD086902332-(4,4-dimethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4,4-Dimethylcyclohexene-1-boronic Acid Pinacol Ester4,4-(DIMETHYLCYCLOHEXENE-1-YL)BORONIC ACID, PINACOL ESTER

이름 더 보기

4,4-(디메틸시클로헥센-1-일)붕소산,피나콜에스테르ohexene-1-boronic Acid PinacoL2-(4,4-Dimethyl-1-cyclohexen-1-yl)4,4-DiMethylcyclohexenylboronic acid pinacol ester4,4-dimethylcyclohex-1-enylboronic acid pinacol ester4,4-(DIMETHYLCYCLOHEXENE-1-YL)BORONIC ACID, PICOL ESTER(4,4-diMethylcyclohexent-1-yl)boronic acid pinacol ester

4,4-(Dimethylcyclohexene-1-yl)boronic acid pinacol esterGS-63304,4-Dimethylcyclohexen-1-ylboronic acid, pinacol esterSCHEMBL1701389(4,4-dimethylcyclohexene-1-yl)boronic acid, pinacol esterJQEUELMRQYUNDS-UHFFFAOYSA-N_x000D_44-Dimethylcyclohexene-1-boronic Acid Pinacol EsterJJB21767

데이터베이스 식별자

CAS: 859217-67-7
PubChem CID: 23142013
DTXSID: DTXSID60630948
EC Number: 815-306-7

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: 17
형식 전하: 0
복잡도: 326

물리화학적 성질

끓는 점: 255 ℃ · 255℃
밀도: 0.94 · 0.94
인화점: 108 ℃ · 108℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C14H25BO2/c1-12(2)9-7-11(8-10-12)15-16-13(3,4)14(5,6)17-15/h7H,8-10H2,1-6H3
InChIKey: JQEUELMRQYUNDS-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1C1CCC(C)(C)CC=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.