9-オキソ-9H-フルオレン-4-カルボニルクロリド

9-Fluorenone-4-carbonyl chloride

HCID 610142

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7071-83-2
標準SMILES: O=C(Cl)c1cccc2c1-c1ccccc1C2=O
InChIKey: XKCGWCQMEUASJF-UHFFFAOYSA-N
分子式: C14H7ClO2
平均分子量: 242.65 g/mol
単同位体質量: 242.0134572

名称と識別子

優先名称: 9-Fluorenone-4-carbonyl chloride
IUPAC: 9-oxofluorene-4-carbonyl chloride
現地名: 9-オキソ-9H-フルオレン-4-カルボニルクロリド
英語名: 9-FLUORENONE-4-CARBONYL CHLORIDE
分子式: C14H7ClO2
分子量: 242.66

名称と別名

9-Fluorenone-4-carbonyl chloride7071-83-2DTXSID40346171RefChem:313122DTXCID30297244XKCGWCQMEUASJF-UHFFFAOYSA-N9-oxofluorene-4-carbonyl chloride9-Oxo-9H-fluorene-4-carbonyl chlorideMFCD000099319H-FLUORENE-4-CARBONYL CHLORIDE,9-OXOSCHEMBL2076642AKOS015916686

名称をさらに表示

9-オキソ-9H-フルオレン-4-カルボニルクロリド塩化9-フルオレノン-4-カルボニルTIMTEC-BB SBB0008249-OXO-4-FLUORENECARBONYL CHLORIDE

9-Fluorenone-4-carbonyl chloride, 97%BP-13268BS-234619-Oxo-9H-fluorene-4-carbonyl chloride #DB-0554489h-fluoren-9-one-4-carboxylic acid chlorideH60847

データベース識別子

CAS: 7071-83-2
PubChem CID: 610142
DTXSID: DTXSID40346171
EC Number: 687-146-4
Nikkaji: J236.245G

物性

構造計算による物性

XLogP: 3.6
極性表面積: 34.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 352

物理化学的性質

融点: 139 · 139-141 °C (lit.)
沸点: 420.1 · 420.1±24.0 °C(Predicted)
比重(密度): 1.417 · 1.417±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: solid
InChI: 1S/C14H7ClO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H
InChIKey: XKCGWCQMEUASJF-UHFFFAOYSA-N
SMILES: ClC(=O)c1cccc2C(=O)c3ccccc3-c12

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (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.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 1
ridadr: UN 3261 8/PG 2
risk_code: 34-40
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Carc. 2Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

使用9-Fluorenone-4-carbonyl chloride was used to functionalize amino acids in alkaline medium before their enantioresolution by HPLC. It was also used in the synthesis of N-(2-hydroxyethyl)-9-oxo-9H-fluorene-4 carboxamide.

一般的な説明9-Fluorenone-4-carbonyl chloride is a fluorescent electrophilic reagent.