CAS 244205-40-1 (2-Bromophenyl)boronic acid (HCID 2773294)

名称と識別子

優先名称: (2-Bromophenyl)boronic acid
IUPAC: (2-bromophenyl)boronic acid
現地名: 2-ブロモフェニルボロン酸
英語名: 2-Bromophenylboronic acid
分子式: C6H6BBrO2
分子量: 200.83

名称と別名

(2-bromophenyl)boronic AcidRefChem:395531678-199-42-Bromophenylboronic acid244205-40-12-Bromobenzeneboronic Acido-bromophenylboronic acidMFCD011146722-BromophenylboronicacidBoronic acid, (2-bromophenyl)-bromobenzeneboronic acid2-bromophenyl boronic acid

名称をさらに表示

2-ブロモフェニルボロン酸2-ブロモベンゼンボロン酸2‐ブロモフェニルボロン酸O-ブロモフェニルボロン酸2-Bromophenylboronic Acid (contains varying amounts of Anhydride)o-BBBA2-broMoborateAKOS BRN-0929CAS:244205-40-1RARECHEM AH PB 00742-Bromophenylboronic

Boronic acid,B-(2-bromophenyl)-(2-bromophenyl)boronicAcid2-bromo phenyl boronic acid2-bromo-phenyl boronic acidSCHEMBL150114orb2940491SCHEMBL30546648DTXSID90378346

データベース識別子

CAS: 244205-40-1
PubChem CID: 2773294
DTXSID: DTXSID90378346
EC Number: 678-199-4
Nikkaji: J1.335.262C

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: 10
形式電荷: 0
複雑度: 110

物理化学的性質

融点: 113 °C · 113 °C(lit.)
沸点: 329.2 · 329.2±44.0 °C(Predicted)
比重(密度): 1.67 · 1.67±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: アセトニトリル (微量)、クロロホルム (微量)、DMSO (微量)、メタノール (微量)
外見: 粉
酸解離定数(Pka): 8.25 · 8.25±0.58(Predicted)
色: ホワイトからオフホワイト
水溶解度: メタノールに可溶。水にわずかに溶ける。
BRN: 8542615 · 8542615
InChI: InChI=1S/C6H6BBrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
InChIKey: PLVCYMZAEQRYHJ-UHFFFAOYSA-N
SMILES: B(C1=CC=CC=C1Br)(O)O
CAS データベース: 244205 · 244205-40-1(CAS DataBase Reference)

化学的性質

化学的特性White to off-white powder

安全と法規制

GHS分類

GHS Classification · 4 件

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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
PRTR法: 第一種指定化学物質
hs_code: 29319090
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用2-Bromobenzeneboronic acid is a boronic acid derivative that is widely used in organic synthesis for carbon-carbon bond formation. In Suzuki coupling, aryl halides and boronic acid aryl or vinyl esters or boronic acids are coupled using Pd(PPh3)4.

調製方法 · 1 件

製造方法2-Bromophenylboronic acid synthesis: take 2-bromoaniline as raw material, synthesize the intermediate 1-Bromo-2-iodobenzene through diazotization and iodination, and then carry out magnesium iodide exchange with isopropylmagnesium bromide to synthesize o-bromophenylmagnesium bromide, It is then subjected to substitution reaction with trimethyl borate to synthesize methyl o-bromophenylboronic acid, and then hydrolyzed to synthesize 2-bromophenylboronic acid.