CAS 141091-37-4 2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (HCID 10932675)

기본 정보

CAS: 141091-37-4
표준 SMILES: CC1(C)OB(C2=CCCCC2)OC1(C)C
InChIKey: QNZFUMVTUFOLRT-UHFFFAOYSA-N
분자식: C12H21BO2
평균 분자량: 208.11 g/mol
단동위원소 질량: 208.16346031

이름 및 식별자

우선 이름: 2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
영어명: Cyclohexene-1-boronic acid pinacol ester
분자식: C12H21BO2
분자량: 208.11

이름 및 동의어

141091-37-42-(cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID80448820RefChem:253599DTXCID80399641640-223-6Cyclohexene-1-boronic acid pinacol ester1-Cyclohexen-yl-boronic acid pinacol ester1-Cyclohexen-1-yl-boronic acid pinacol esterMFCD056638451-Cyclohexeneboronic Acid Pinacol Ester2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

이름 더 보기

-boronic acid pinacoL1-Cyclohexeneboronic acidCyclohexen-1-boronic acid pinacol ester1-CYCLOHEXENEBORONIC ACID, PINACOL ESTER1-CYCLOHEXEN-1-YL-BORONIC ACID PINACOL &1-CYCLOHEXENYL-BORONIC ACID PINACOL ESTER

1,3,2-DIOXABOROLANE, 2-(1-CYCLOHEXEN-1-YL)-4,4,5,5-TETRAMETHYL-Cyclohexen-1-ylboronic acid, pinacol ester2-(1-CYCLOHEXEN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE2-cyclohexenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(1-cyclohexenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSCHEMBL422542Cyclohexen-1-yl-boronic acid pinacol esterC12H21BO2

데이터베이스 식별자

CAS: 141091-37-4
PubChem CID: 10932675
DTXSID: DTXSID80448820
EC Number: 640-223-6
Nikkaji: J994.245I

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: 15
형식 전하: 0
복잡도: 265

물리화학적 성질

끓는 점: 232 · 232.0±33.0 °C(Predicted)
밀도: 0.968 · 0.968
굴절률: 1.465 · 1.4650-1.4690
인화점: 219 °F · 219 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색투명~황갈색
InChI: 1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h8H,5-7,9H2,1-4H3
InChIKey: QNZFUMVTUFOLRT-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)C2=CCCCC2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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.