3,5-Dichlorophenylboronic acid (HCID 2734331)

名称と識別子

優先名称: 3,5-Dichlorophenylboronic acid
IUPAC: (3,5-dichlorophenyl)boronic acid
現地名: 3,5-ジクロロフェニルボロン酸
英語名: 3,5-Dichlorophenylboronic acid
分子式: C6H5BCl2O2
分子量: 190.82

名称と別名

3,5-Dichlorophenylboronic acid67492-50-6DTXSID70370222RefChem:271695DTXCID10321258628-675-2(3,5-dichlorophenyl)boronic Acid3,5-Dichlorobenzeneboronic AcidMFCD000519353,5-Dichlorophenyl boronic acid3,5-dichrolo phenyl boronic acid(3,5-dichlorophenyl)boranediol

名称をさらに表示

3,5-ジクロロフェニルボロン酸3,5-ジクロロフェニルボロン酸塩化物3,5-ジクロロベンゼンボロン酸AKOS BRN-0088RARECHEM AH PB 00883,5-Dichlorophenylbo3,5-Dichlophenylboronic acid3,5-dichloeophenylboronicacid3,5-Dichlorophenylboronic 97% +3,5-DICHLOROPHENYLBORONIC ACID 98%

3,5-Dichlorophenylboronicacid3,5-dichloro phenylboronic acid3,5-Dichlorobenylboronic acidSCHEMBL177673orb29400403,5-dichloro-phenylboronic acid3,5-dichlorophenyl-boronic acid3,5-dichloro benzeneboronic acid

データベース識別子

CAS: 67492-50-6
PubChem CID: 2734331
DTXSID: DTXSID70370222
EC Number: 628-675-2
Nikkaji: J732.735H

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: 124

物理化学的性質

融点: 315 °C · 315 °C
沸点: 351.7 · 351.7±52.0 °C(Predicted)
比重(密度): 1.47 · 1.47±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 6.58 · 6.58±0.10(Predicted)
色: White to Almost white
BRN: 7581091 · 7581091
InChI: 1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChIKey: DKYRKAIKWFHQHM-UHFFFAOYSA-N
SMILES: OB(O)c1cc(Cl)cc(Cl)c1
CAS データベース: 67492 · 67492-50-6(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 · 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 (97.9%): 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 48 reports by companies from 8 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

安全データ

wgk: 3
PRTR法: 第一種指定化学物質
hs_code: 29319090
risk_code: 36/37/38-22-19-11
hazard_code: Xi,Xn,F
safety_code: 26-36-37/39-33-16
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Reactant involved in:• ;Suzuki-Miyaura cross-coupling1,2• ;Trifluoromethylation3• ;Intramolecular aromatic carbenoid insertion of biaryldiazoacetates4• ;Cyanation for the synthesis of aromatic nitriles5• ;Lithiation of dihalophenyl dioxazaborocines for synthesis of functionalized dihalophenyl boronic acid6