2-ビニルフェニルボロン酸

2-Vinylbenzeneboronic acid

HCID 2773587

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 15016-42-9
標準SMILES: C=Cc1ccccc1B(O)O
InChIKey: QHFAXRHEKNHTDH-UHFFFAOYSA-N
分子式: C8H9BO2
平均分子量: 147.97 g/mol
単同位体質量: 148.0695597

名称と識別子

優先名称: 2-Vinylbenzeneboronic acid
IUPAC: (2-ethenylphenyl)boronic acid
現地名: 2-ビニルフェニルボロン酸
英語名: 2-Vinylphenylboronic acid
分子式: C8H9BO2
分子量: 147.97

名称と別名

2-Vinylbenzeneboronic acidB-(2-ETHENYLPHENYL)BORONIC ACIDRefChem:483858681-433-82-Vinylphenylboronic acid15016-42-9(2-vinylphenyl)boronic acid(2-ethenylphenyl)boronic AcidMFCD01074659Boronic acid, (ethenylphenyl)-Boronic acid, B-(2-ethenylphenyl)-STYRENE-2-BORONIC ACID

名称をさらに表示

2-ビニルフェニルボロン酸2-ビニルベンゼンボロン酸スチレン-2-ボロン酸AKOS BRN-01412-BORONOSTYRENERARECHEM AH PB 02102-VinylphenylboronicAci2-Vinylphenylboronic acid - [V5638]

2-vinyl benzene boronic acidAKOS004116554CS-W016344AB08106SY025003V01402-Vinylphenylboronic Acid (contains varying amounts of Anhydride)2-Vinylphenylboronicacid

データベース識別子

CAS: 15016-42-9
PubChem CID: 2773587
DTXSID: DTXSID80378577
EC Number: 681-433-8、929-220-3
Nikkaji: J1.634.713B

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: 2
重原子数: 11
形式電荷: 0
複雑度: 136

物理化学的性質

融点: 105 · 105-107°C
沸点: 313.7 · 313.7±35.0 °C(Predicted)
比重(密度): 1.09 · 1.09±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 8.53 · 8.53±0.58(Predicted)
色: White to Almost white
水溶解度: 水に不溶。
BRN: 3030430 · 3030430
InChI: 1S/C8H9BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6,10-11H,1H2
InChIKey: QHFAXRHEKNHTDH-UHFFFAOYSA-N
SMILES: OB(O)c1ccccc1C=C
CAS データベース: 15016 · 15016-42-9(CAS DataBase Reference)

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 (85.7%): 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)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.