クロリドチオ炭酸O-(2-ナフチル)

O-2-Naphthyl chlorothioformate

HCID 82681

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 10506-37-3
標準SMILES: S=C(Cl)Oc1ccc2ccccc2c1
InChIKey: INFPIPCTRVDPJG-UHFFFAOYSA-N
分子式: C11H7ClOS
平均分子量: 222.69 g/mol
単同位体質量: 221.9906137

名称と識別子

優先名称: O-2-Naphthyl chlorothioformate
IUPAC: O-naphthalen-2-yl chloromethanethioate
現地名: クロリドチオ炭酸O-(2-ナフチル)
英語名: O-2-Naphthyl chlorothioformate
分子式: C11H7ClOS
分子量: 222.69

名称と別名

10506-37-3O-2-Naphthyl chlorothioformateEINECS 234-037-0DTXSID20146934Carbonochloridothioic acid, O-2-naphthalenyl esterRefChem:855184DTXCID9069425234-037-0naphthalen-2-yl chloromethanethioateO-naphthalen-2-yl chloromethanethioateO-(naphthalen-2-yl) carbonochloridothioateCarbonochloridothioicacid, O-2-naphthalenyl ester

名称をさらに表示

クロロチオぎ酸O-(2-ナフチル)クロリドチオ炭酸O-(2-ナフチル)クロロチオぎ酸O-2-ナフチルO-(2-ナフチル)=クロロチオホルマートナフタレン-2-イルクロロメタンチオアートNCTFTolnaftate Impurity 1Tonaphthol Impurity 5Beta naphthol thio chloroformateO-2-Naphthyl chlorothionoformate

O-(2-naphthyl) chloromethanethioateO-Naphthalen-2-yl Chlorothioformateo-naphthalen-2-yl carbonochloridothioate2-naphthylchlorothioformate2-naphthyl chlorothioformateT6L7YU9JEPSCHEMBL1403191SCHEMBL31141860

データベース識別子

CAS: 10506-37-3
PubChem CID: 82681
DTXSID: DTXSID20146934
UNII: T6L7YU9JEP
EC Number: 234-037-0
Nikkaji: J28.874H

物性

構造計算による物性

XLogP: 4.9
極性表面積: 41.3 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: 2
重原子数: 14
形式電荷: 0
複雑度: 219

物理化学的性質

融点: 76 · 76-77 °C
沸点: 334.8 · 334.8±11.0 °C(Predicted)
比重(密度): 1.358 · 1.358±0.06 g/cm3(Predicted)
InChI: InChI=1S/C11H7ClOS/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey: INFPIPCTRVDPJG-UHFFFAOYSA-N
SMILES: C(Cl)(=S)OC1=CC=C2C(=C1)C=CC=C2

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H228 (92.3%): Flammable solid [Danger Flammable solids]；H314 (92.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H411 (92.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P240, P241, P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 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.