CAS 552866-98-5 4-Fluoro-2,3-dihydro-1H-indole (HCID 16244440)

基本情報

CAS: 552866-98-5
標準SMILES: Fc1cccc2c1CCN2
InChIKey: CMQOXZRRFDMQKY-UHFFFAOYSA-N
分子式: C8H8FN
平均分子量: 137.15 g/mol
単同位体質量: 137.06407742

名称と識別子

優先名称: 4-Fluoro-2,3-dihydro-1H-indole
IUPAC: 4-fluoro-2,3-dihydro-1H-indole
現地名: 4-フルオロ-2,3-ジヒドロ-1H-インドール
英語名: 4-Fluoro-2,3-dihydro-1H-indole hydrochloride
分子式: C8H8FN
分子量: 137.15

名称と別名

552866-98-54-FLUORO-2,3-DIHYDRO-1H-INDOLEDTXSID50585690RefChem:523049DTXCID00536455112-699-04-Fluoroindoline4-Fluoro-2,3-dihydro-indoleMFCD073716341H-Indole, 4-fluoro-2,3-dihydro-1H-INDOLE,4-FLUORO-2,3-DIHYDRO4-fluoro-indoline

名称をさらに表示

4-フルオロ-2,3-ジヒドロ-1H-インドール2,3-Dihydro-4-fluoro-1H-indole1H-Indole,4-fluoro-2,3-dihydro-4-FLUORO-2,3-DIHYDRO-1H-INDOLE HCL4-Fluoro-2,3-dihydro-1H-indole hydrochloride4-Fluoroindoline 4-Fluoro-2,3-dihydro-1H-indole in stock Factory

SCHEMBL5503134-Fluoro-2,3-dihydroindole3-Nitro-4-chlorobenzoylchlorideSCHEMBL5542282SCHEMBL27975557SCHEMBL29353774CMQOXZRRFDMQKY-UHFFFAOYSA-N4-fluoro-2,3-dihydro-1 H-indole

データベース識別子

CAS: 552866-98-5
PubChem CID: 16244440
DTXSID: DTXSID50585690
EC Number: 112-699-0

物性

構造計算による物性

XLogP: 2
極性表面積: 12 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: 0
重原子数: 10
形式電荷: 0
複雑度: 126

物理化学的性質

沸点: 215.7 · 215.7±29.0 °C(Predicted)
比重(密度): 1.154 · 1.154±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C, · -20°C, sealed storage, away from moisture
酸解離定数(Pka): 4.29 · 4.29±0.20(Predicted)

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.