4,4-디메틸사이클로헥센-1-일보론산

4,4-Dimethylcyclohexen-1-ylboronic acid

HCID 44119555CAS 865869-28-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)CC=C(B(O)O)CC1
InChIKey: HWFBGGLUEZIDOE-UHFFFAOYSA-N
분자식: C8H15BO2
평균 분자량: 154.02 g/mol
단동위원소 질량: 154.1165099

이름 및 식별자

우선 이름: 4,4-Dimethylcyclohexen-1-ylboronic acid
IUPAC: (4,4-dimethylcyclohexen-1-yl)boronic acid
현지명: 4,4-디메틸사이클로헥센-1-일보론산
영어명: 4,4-Dimethylcyclohexen-1-ylboronic acid
분자식: C8H15BO2
분자량: 154.01

이름 및 동의어

4,4-Dimethylcyclohexen-1-ylboronic acidRefChem:507439692-487-7865869-28-9(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid(4,4-dimethylcyclohexen-1-yl)boronic acidMFCD073637584,4-DIMETHYL-1-CYCLOHEXEN-1-YLBORONIC ACIDBoronic acid, (4,4-dimethyl-1-cyclohexen-1-yl)-SCHEMBL16437414,4-(DIMETHYLCYCLOHEXEN-1-YL)BENZENEBORONIC ACIDDTXSID30657288

이름 더 보기

4,4-디메틸사이클로헥센-1-일보론산(4,4-dimethyl-1-cyclohexenyl)boronic acid4,4-DiMethylcyclohexene-1-boronic acid, 96%4,4-Dimethylcyclohexen-1-ylboronic acid 97%(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid 98%Boronic acid, B-(4,4-dimethyl-1-cyclohexen-1-yl)-

HWFBGGLUEZIDOE-UHFFFAOYSA-N1-Borono-4,4-dimethylcyclohex-1-eneAKOS006222940AB30703PS-97854,4-dimethyl-cyclohex-1-enylboronic acid4,4-dimethylcyclohexen-1-yl boronic acidSY284935

데이터베이스 식별자

CAS: 865869-28-9
PubChem CID: 44119555
DTXSID: DTXSID30657288
EC Number: 692-487-7

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: 11
형식 전하: 0
복잡도: 173

물리화학적 성질

녹는점: 152 · 152-154
끓는 점: 264.1 · 264.1±33.0 °C(Predicted)
밀도: 1 · 1.00±0.1 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 9.43 · 9.43±0.40(Predicted)
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.