2-クロロ-4-(トリフルオロメチル)フェニルボロン酸塩化物

[2-Chloro-4-(trifluoromethyl)phenyl]boronic acid

HCID 2783251

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 254993-59-4
標準SMILES: OB(O)c1ccc(C(F)(F)F)cc1Cl
InChIKey: JKSUCAFAUNSPLO-UHFFFAOYSA-N
分子式: C7H5BClF3O2
平均分子量: 224.37 g/mol
単同位体質量: 224.0023217

名称と識別子

優先名称: [2-Chloro-4-(trifluoromethyl)phenyl]boronic acid
IUPAC: [2-chloro-4-(trifluoromethyl)phenyl]boronic acid
現地名: 2-クロロ-4-(トリフルオロメチル)フェニルボロン酸塩化物
英語名: 2-Chloro-4-trifluoromethylphenylboronic acid
分子式: C7H5BClF3O2
分子量: 224.37

名称と別名

[2-chloro-4-(trifluoromethyl)phenyl]boronic Acid(2-chloro-4-(trifluoromethyl)phenyl)boronic acidRefChem:395600672-943-1254993-59-42-Chloro-4-(trifluoromethyl)phenylboronic acid2-Chloro-4-trifluoromethylphenylboronic acid2-Chloro-4-(trifluoromethyl)benzeneboronic acidC7H5BClF3O2MFCD02684337DTXSID60382536AKOS004119244

名称をさらに表示

2-クロロ-4-(トリフルオロメチル)フェニルボロン酸塩化物2-クロロ-4-(トリフルオロメチル)フェニルボロン酸2‐クロロ‐4‐(トリフルオロメチル)フェニルボロン酸2-クロロ-4-トリフルオロメチルフェニルボロン酸AKOS BRN-05744-Borono-3-chlorobenzotrifluoride4-chloro-2-(difluoromethoxy)benzoic acid2Chloro4TrifluoromethoxyphenylboronoicAcid2-Chloro-4-(trifluoromethyl) benzeneboronic2-chloro-4-(trifluoromethyl)phenyl]boronicaci

SY0146352-Chloro-4-(trifluoromethyl)phenylboronicacidBoronic acid, [2-chloro-4-(trifluoromethyl)phenyl]-AM20050332SCHEMBL8376962-Chloro-4-(trifluoromethyl)ph2-Cholro-4-flurophenylboronic acidSBB096690

データベース識別子

CAS: 254993-59-4
PubChem CID: 2783251
DTXSID: DTXSID60382536
EC Number: 672-943-1

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: 5
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 200

物理化学的性質

融点: 110 · 110-112°C
沸点: 281.5 · 281.5±50.0 °C(Predicted)
比重(密度): 1.49 · 1.49±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
酸解離定数(Pka): 7.52 · 7.52±0.58(Predicted)
色: white
BRN: 9263388 · 9263388
CAS データベース: 254993 · 254993-59-4(CAS DataBase Reference)

化学的性質

化学的特性White to light yellow solid

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)

Aggregated GHS information provided per 21 reports by companies from 2 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.