2-[(1E)-3-methoxyprop-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 16217443

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 165059-42-7
표준 SMILES: COC/C=C/B1OC(C)(C)C(C)(C)O1
InChIKey: FBAOFKFCKHJXRU-VOTSOKGWSA-N
분자식: C10H19BO3
평균 분자량: 198.07 g/mol

이름 및 식별자

우선 이름: 2-[(1E)-3-methoxyprop-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
영어명: (E)-2-(3-Methoxy-1-propen-1-yl)-4 4 5 5&
분자식: C10H19BO3
분자량: 198.07

이름 및 동의어

165059-42-72-[(1E)-3-METHOXYPROP-1-EN-1-YL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE2-((1E)-3-methoxyprop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:447426626-097-5trans-3-Methoxy-1-propenylboronic acid pinacol ester(E)-3-METHOXY-1-PROPEN-1-YLBORONIC ACID, PINACOL ESTER(E)-2-(3-METHOXYPROP-1-EN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANEMFCD056642972-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(3-methoxyprop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSCHEMBL478114

이름 더 보기

(E)-2-(3-Methoxy-1-propen-1-yl)-4 4 5 5&trans-3-Methoxy-1-propenylboronic acid pinacol ester 95%trans-3-Methoxy-1-propenylboronic acid pinacol ester, 95%

(E)-2-(3-Methoxy-1-propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(E)-3-Methoxy-1-propenylboronic Acid Pinacol Ester(E)-3-Methoxy-1-propen-1-ylboronic acid,pinacol ester(E)-2-(3-methoxyprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneFBAOFKFCKHJXRU-VOTSOKGWSA-N(E)-2-(3-METHOXYPROPENYL)-4,4,5,5-TETRAMETHYL-(1,3,2)-DIOXABOROANE2-[(1E)-3-METHOXYPROPAKOS017343602

데이터베이스 식별자

CAS: 165059-42-7
PubChem CID: 16217443
EC Number: 626-097-5
Nikkaji: J2.359.555I、J730.121I

물성

구조 계산 물성

극성 표면적: 27.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 207

물리화학적 성질

끓는 점: 229 · 229-230 °C(lit.)
밀도: 0.933 g/mL · 0.933 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4430(lit.)
인화점: 214 °F · 214 °F
저장 조건: -20 °C, · -20°C, stored under nitrogen
InChI: 1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h6-7H,8H2,1-5H3/b7-6+
InChIKey: FBAOFKFCKHJXRU-VOTSOKGWSA-N
SMILES: COC\C=C\B1OC(C)(C)C(C)(C)O1

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.