7-Fluoro-2,3-dihydro-1H-indole

HCID 16768261

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 769966-04-3
標準SMILES: Fc1cccc2c1NCC2
InChIKey: AGJTUVBSTFSZFY-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: 7-Fluoro-2,3-dihydro-1H-indole
IUPAC: 7-fluoro-2,3-dihydro-1H-indole
英語名: 7-Fluoroindoline
分子式: C8H8FN
分子量: 137.15

名称と別名

769966-04-37-fluoro-2,3-dihydro-1H-indoleDTXSID60588036RefChem:310765DTXCID70538800822-490-27-FluoroindolineMFCD090418251H-INDOLE,7-FLUORO-2,3-DIHYDRO-1H-Indole, 7-fluoro-2,3-dihydro-SCHEMBL515124SCHEMBL5543201

名称をさらに表示

7-Fluoroindoline in stock Factory

AKOS BBV-003106TQP1219AGJTUVBSTFSZFY-UHFFFAOYSA-NOTAVA-BB 1118853AKOS002433798SB386727-Fluoroindoline in stock FactoryAC-27815

データベース識別子

CAS: 769966-04-3
PubChem CID: 16768261
DTXSID: DTXSID60588036
EC Number: 822-490-2

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: 216.3 · 216.3±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): 3.9 · 3.90±0.20(Predicted)
InChI: InChI=1S/C8H8FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3,10H,4-5H2
InChIKey: AGJTUVBSTFSZFY-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2F)CC1

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 2 reports by companies from 1 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.

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

hs_code: 9999999999

化学と産業

上流・下流製品情報

上流原料

7-フルオロインドール

サプライヤー48 社

上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]

Hubei Lidu New Material Technology Co., Ltd+86-19307248857 +86-19307248857 · [email protected]

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

Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

化合物ノート

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