4,4-ジメチルシクロヘキセン-1-イルボロン酸

4,4-Dimethylcyclohexen-1-ylboronic acid

HCID 44119555CAS 865869-28-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1(C)CC=C(B(O)O)CC1
InChIKey: HWFBGGLUEZIDOE-UHFFFAOYSA-N
分子式: C8H15BO2
平均分子量: 154.02 g/mol
単同位体質量: 154.1165099

名称と識別子

優先名称: 4,4-Dimethylcyclohexen-1-ylboronic acid
IUPAC: (4,4-dimethylcyclohexen-1-yl)boronic acid
現地名: 4,4-ジメチルシクロヘキセン-1-イルボロン酸
英語名: 4,4-Dimethylcyclohexen-1-ylboronic acid
分子式: C8H15BO2
分子量: 154.01

名称と別名

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

名称をさらに表示

4,4-ジメチルシクロヘキセン-1-イルボロン酸(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

データベース識別子

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

物性

構造計算による物性

極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 173

物理化学的性質

融点: 152 · 152-154
沸点: 264.1 · 264.1±33.0 °C(Predicted)
比重(密度): 1 · 1.00±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
酸解離定数(Pka): 9.43 · 9.43±0.40(Predicted)
外見: solid
色: white

安全と法規制

GHS分類

GHS Classification · 5 件

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.