CAS 6834-42-0 3-Methoxyphenylacetyl chloride (HCID 2733246)

基本情報

CAS: 6834-42-0
標準SMILES: COc1cccc(CC(=O)Cl)c1
InChIKey: UZUYKYNVSJTWEH-UHFFFAOYSA-N
分子式: C9H9ClO2
平均分子量: 184.62 g/mol
単同位体質量: 184.0291072

名称と識別子

優先名称: 3-Methoxyphenylacetyl chloride
IUPAC: 2-(3-methoxyphenyl)acetyl chloride
現地名: 塩化3-メトキシフェニルアセチル
英語名: 3-Methoxyphenylacetyl chloride
分子式: C9H9ClO2
分子量: 184.62

名称と別名

3-Methoxyphenylacetyl chloride6834-42-0DTXSID00369806RefChem:280528DTXCID10320842628-791-32-(3-methoxyphenyl)acetyl chloride3-Methoxyphenylacetylchloride(3-methoxyphenyl)acetyl chlorideMFCD000122443-Methoxyphenylacetyl chloride, 98%3-methoxy-phenylacetylchloride

名称をさらに表示

塩化3-メトキシフェニルアセチル3-メトキシフェニルアセチルクロリドTIMTEC-BB SBB006548Benzeneacetyl chloride, 3-methoxy-3-Methoxyphenylacetyl chloride 98%3-Methoxyphenylacetyl chloride ,98%3-methoxyphenylacetic acid chloride2-(3-methoxyphenyl)ethanoyl chloride

SCHEMBL211498(3-methoxyphenyl)acetylchloride3-methoxyphenyl acetyl chloride3-methoxyphenyl-acetyl chloride(3-methoxyphenyl)-acetyl chloride2-(3-methoxyphenyl)acetylchloride(3-methoxy-phenyl)-acetyl chlorideSTR05351

データベース識別子

CAS: 6834-42-0
PubChem CID: 2733246
DTXSID: DTXSID00369806
EC Number: 628-791-3
Nikkaji: J1.936.729K

物性

構造計算による物性

XLogP: 2.5
極性表面積: 26.3 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: 3
重原子数: 12
形式電荷: 0
複雑度: 159

物理化学的性質

沸点: 120 °C/2 · 120 °C/2 mmHg (lit.)
比重(密度): 1.184 g/mL · 1.184 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.5392(lit.)
闪点: 230 °F · >230 °F
外見: 液体
色: 澄んだ黄色から赤褐色
InChI: 1S/C9H9ClO2/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3
InChIKey: UZUYKYNVSJTWEH-UHFFFAOYSA-N
SMILES: COc1cccc(CC(Cl)=O)c1

化学的性質

化学的特性clear yellow to red-brown liquid

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]；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]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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

Regulatory InformationBenzeneacetyl chloride, 3-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)