7-氟吲哚啉

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

HCID 16768261CAS 769966-04-3

子结构检索查找相似结构

基本信息

标准SMILES: Fc1cccc2c1NCC2
InChIKey: AGJTUVBSTFSZFY-UHFFFAOYSA-N
分子式: C8H8FN
平均分子量: 137.15 g/mol
单同位素质量: 137.06407742

名称与标识

首选名称: 7-Fluoro-2,3-dihydro-1H-indole
IUPAC: 7-fluoro-2,3-dihydro-1H-indole
中文名: 7-氟吲哚啉
英文名: 7-Fluoroindoline
分子式: C8H8FN
分子量: 137.15

名称与别名

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

展开更多名称

7-氟吲哚林7-氟吲哚啉7-Fluoroindoline in stock Factory

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

数据库标识

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

性质

结构计算性质

XLogP: 2
极性表面积: 12 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 126

物理化学性质

沸点: 216.3 · 216.3±29.0 °C(Predicted)
密度: 1.154 · 1.154±0.06 g/cm3(Predicted)
储存条件: -20 °C, · -20°C, sealed storage, away from moisture
酸度系数(pKa): 3.9 · 3.90±0.20(Predicted)
外观: Colorless to pink Liquid
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

安全与法规

GHS分类

GHS Classification · 5 条

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.

危害信息

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

安全数据

海关编码: 9999999999

化学与工业

上下游产品信息

上游原料

7-氟吲哚

供应商48 家

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]

关联笔记

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