α-シクロプロピル-4-フルオロベンゼンメタノール

alpha-Cyclopropyl-4-fluorobenzenemethanol

HCID 102498

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 827-88-3
標準SMILES: OC(c1ccc(F)cc1)C1CC1
InChIKey: MJODBWDKPXYVMF-UHFFFAOYSA-N
分子式: C10H11FO
平均分子量: 166.19 g/mol
単同位体質量: 166.07939313

名称と識別子

優先名称: alpha-Cyclopropyl-4-fluorobenzenemethanol
IUPAC: cyclopropyl-(4-fluorophenyl)methanol
現地名: α-シクロプロピル-4-フルオロベンゼンメタノール
英語名: ALPHA-CYCLOPROPYL-4-FLUOROBENZYL ALCOHOL
分子式: C10H11FO
分子量: 166.2

名称と別名

alpha-Cyclopropyl-4-fluorobenzenemethanolRefChem:555484cyclopropyl(4-fluorophenyl)methanol827-88-3alpha-Cyclopropyl-4-fluorobenzyl alcoholcyclopropyl-(4-fluorophenyl)methanolBenzenemethanol, a-cyclopropyl-4-fluoro-MFCD00013730cyclopropyl(4-fluorophenyl)methan-1-olEINECS 212-576-2ALPHA-CYCLOPROPYL-4-FLUOROBENZYLALCOHOLSCHEMBL1348883

名称をさらに表示

α-シクロプロピル-4-フルオロベンゼンメタノールΑ-シクロプロピル-4-フルオロベンジルアルコールシクロプロピル(4-フルオロフェニル)メタノールα-Cyclopropyl-4-fluorobenzylalcoholα-CYCLOPROPYL-4-FLUOROBENZYL ALCOHOLα-Cyclopropyl-4-fluorobenzenemethanolα-Cyclopropyl-4-fluorobenzenemethanolBenzenemethanol, α-cyclopropyl-4-fluoro-(S)-cyclopropyl-(4-fluorophenyl)methanolalpha-Cyclopropyl-4-fluorobenzyl alcohol, 98+%

cyclopropyl-4-fluorophenylcarbinolMJODBWDKPXYVMF-UHFFFAOYSA-NDTXSID101002856Cyclopropyl (4-fluorophenyl)methanola-Cyclopropyl-4-fluorobenzenemethanolSBB088010AKOS009156470AT34083

データベース識別子

CAS: 827-88-3
PubChem CID: 102498
DTXSID: DTXSID101002856
EC Number: 212-576-2
Nikkaji: J195.089D

物性

構造計算による物性

XLogP: 1.9
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 148

物理化学的性質

沸点: 250.8 · 250.8±15.0 °C(Predicted)
比重(密度): 1.13 · 1.13
屈折率: 1.517 · 1.517-1.519
酸解離定数(Pka): 14.22 · 14.22±0.20(Predicted)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.