2,4,5-トリフルオロフェニルボロン酸

2,4,5-Trifluorophenylboronic acid

HCID 2783133

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 247564-72-3
標準SMILES: OB(O)c1cc(F)c(F)cc1F
InChIKey: KCHHKNCSISEAAE-UHFFFAOYSA-N
分子式: C6H4BF3O2
平均分子量: 175.9 g/mol
単同位体質量: 176.02564443

名称と識別子

優先名称: 2,4,5-Trifluorophenylboronic acid
IUPAC: (2,4,5-trifluorophenyl)boronic acid
現地名: 2,4,5-トリフルオロフェニルボロン酸
英語名: 2,4,5-Trifluorophenylboronic acid
分子式: C6H4BF3O2
分子量: 175.9

名称と別名

2,4,5-Trifluorophenylboronic acid247564-72-3(2,4,5-trifluorophenyl)boronic AcidDTXSID20382451RefChem:442785DTXCID50333476681-780-52,4,5-trifluorobenzeneboronic acidMFCD01863165BORONIC ACID, B-(2,4,5-TRIFLUOROPHENYL)-2,4,5-TrifluorophenylboronicacidBoronic acid, (2,4,5-trifluorophenyl)-

名称をさらに表示

2,4,5-トリフルオロフェニルボロン酸2,4,5‐トリフルオロフェニルボロン酸RARECHEM AH PB 01192,4,5-Trifluorophen2,4,5-Trifluorophenylboronic AicdREF DUPL: 2,4,5-trifluorophenylboronic acid(2,4,5-trifluorophenyl)boronic acid, 98%min

864BRT6DVRSCHEMBL581257SCHEMBL29419677SBB071082AKOS005256560AC-5389PB42383B-(2,4,5-Trifluorophenyl)boronic acid

データベース識別子

CAS: 247564-72-3
PubChem CID: 2783133
DTXSID: DTXSID20382451
UNII: 864BRT6DVR
EC Number: 681-780-5
Nikkaji: J2.118.335K

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: 12
形式電荷: 0
複雑度: 158

物理化学的性質

融点: 100 °C · 100 °C(lit.)
沸点: 257 · 257.0±50.0 °C(Predicted)
比重(密度): 1.44 · 1.44±0.1 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 7.38 · 7.38±0.58(Predicted)
CAS データベース: 247564 · 247564-72-3(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.