2-ブロモ-7-ヨードフルオレン

2-Bromo-7-iodo-9H-fluorene

HCID 14290982

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 123348-27-6
標準SMILES: Brc1ccc2c(c1)Cc1cc(I)ccc1-2
InChIKey: GWUPMAMGLLLLHO-UHFFFAOYSA-N
分子式: C13H8BrI
平均分子量: 371.01 g/mol
単同位体質量: 369.88541036

名称と識別子

優先名称: 2-Bromo-7-iodo-9H-fluorene
IUPAC: 2-bromo-7-iodo-9H-fluorene
現地名: 2-ブロモ-7-ヨードフルオレン
英語名: 2-Bromo-7-iodofluorene
分子式: C13H8BrI
分子量: 371.01

名称と別名

2-Bromo-7-iodo-9H-fluorene2-bromo-7-iodofluoreneEC 696-006-1DTXSID80558519RefChem:467094DTXCID40509300696-006-1123348-27-62-Bromo-7-iodo-9H-fluoren9H-Fluorene, 2-bromo-7-iodo-MFCD12024276C13H8BrI

名称をさらに表示

2-ブロモ-7-ヨードフルオレン2-ブロモ-7-ヨード-9H-フルオレン2-broMine-7-iodinefluorene2-BROMO-7-IODO-9H-FL2-bromo-7-iodo-fluoren2-Bromo-7-iodofluorene >9H-Fluorene, 2-broMo-7-iodo-Phenol,6-(bromomethyl)-,acetate2-Bromo-7-iodo-9H-fluoren123348-27-6

2- Bromo-7- iodofluoreneAKOS024462343CS-W018902AC-28779SY037137F11670AMY38248SCHEMBL2137121

データベース識別子

CAS: 123348-27-6
PubChem CID: 14290982
DTXSID: DTXSID80558519
EC Number: 696-006-1
Nikkaji: J2.499.196B

物性

構造計算による物性

XLogP: 4.9
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 243

物理化学的性質

融点: 178 · 178-180℃
沸点: 426.5 · 426.5±38.0 °C(Predicted)
比重(密度): 1.988 · 1.988±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Toluene
外見: powder to crystal
色: White to Orange to Green
InChI: InChI=1S/C13H8BrI/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5H2
InChIKey: GWUPMAMGLLLLHO-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC(I)=C2)C2=C1C=C(Br)C=C2

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 03-06-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11346

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

安全データ

hs_code: 2902900000

化学と産業

応用分野

使用2-Bromo-7-iodofluorene is mainly used as intermediate of Ledipasvir. Ledipasvir is a potent inhibitor of HCV NS5A, a viral phosphoprotein that plays an important role in viral replication, assembly, and secretion.