2,2,2-Trifluoro-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)ethanol

HCID 21886155

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1970977-56-0
標準SMILES: CC1(C)OB(c2cccc(C(O)C(F)(F)F)c2)OC1(C)C
InChIKey: CDSZJUQQHUHGLH-UHFFFAOYSA-N
分子式: C14H18BF3O3
平均分子量: 302.1 g/mol
単同位体質量: 302.1301091

名称と識別子

優先名称: 2,2,2-Trifluoro-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)ethanol
IUPAC: 2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
英語名: 2,2,2-TRIFLUORO-1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ETHANOL
分子式: C14H18BF3O3
分子量: 302.1

名称と別名

1970977-56-02,2,2-TRIFLUORO-1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ETHANOL3-(2,2,2-Trifluoro-1-hydroxyethyl)phenylboronic acid pinacol ester(3-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)PHENYL)BORONIC ACID PINACOL ESTERMFCD187610202,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol2,2,2-Trifluoro-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-ol2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-olSCHEMBL5841426VDD97756AKOS027331659AS-41519

名称をさらに表示

Benzenemethanol, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-α-(trifluoromethyl)-

SY258445DB-181512CS-0175658F331103(3-(2,2,2-Trifluoro-1-hydroxyethyl)pheny)boronic acid pinacolester2,2,2-Trifluoro-1-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethanolBenzenemethanol, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-alpha-(trifluoromethyl)-

データベース識別子

CAS: 1970977-56-0
PubChem CID: 21886155
EC Number: 170-715-1
Nikkaji: J3.763.915J

物性

構造計算による物性

極性表面積: 38.7 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 21
形式電荷: 0
複雑度: 368

物理化学的性質

沸点: 371 · 371.0±42.0 °C(Predicted)
比重(密度): 1.2 · 1.20±0.1 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 11.91 · 11.91±0.10(Predicted)
InChI: InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-5-6-9(8-10)11(19)14(16,17)18/h5-8,11,19H,1-4H3
InChIKey: CDSZJUQQHUHGLH-UHFFFAOYSA-N
SMILES: C(O)(C1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)C(F)(F)F

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

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

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

サプライヤー16 社

上海策嵘生物科技有限公司[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]

化合物ノート

読み込み中…