4-エトキシベンゾイルクロリド

4-Ethoxybenzoyl Chloride

HCID 140059

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 16331-46-7
標準SMILES: CCOc1ccc(C(=O)Cl)cc1
InChIKey: XLWQUESMILVIPR-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: 4-Ethoxybenzoyl Chloride
IUPAC: 4-ethoxybenzoyl chloride
現地名: 4-エトキシベンゾイルクロリド
英語名: 4-Ethoxybenzoyl chloride
分子式: C9H9ClO2
分子量: 184.62

名称と別名

4-Ethoxybenzoyl chloride16331-46-7p-Ethoxybenzoyl chlorideDTXSID40167565RefChem:98839DTXCID9090056605-323-6XLWQUESMILVIPR-UHFFFAOYSA-N4-ethoxybenzoylchlorideBenzoyl chloride, 4-ethoxy-p-ethoxy benzoyl chloride4-Ethoxy-benzoyl chloride

名称をさらに表示

4-エトキシベンゾイルクロリド4-エトキシ安息香酸クロリドp-エトキシベンゾイルクロリド塩化4-エトキシベンゾイル4-エトキシベンゾイルクロリドSKL1278NISTC163314674-Ethoxybenzoyl chlo4-EthoxybenzoylChloro4-EthoxybenzoylChloride>4-ETHYLOXYBENZOYL CHLORIDE4-ETHOXYBENZOYL CHLORIDE 98%

MFCD000006884-ethyloxybenzoyl chloridepara-ethoxybenzoyl chlorideSCHEMBL2756464-Ethoxybenzoyl chloride, 98%Sildenafil Impurity 187A810467SCHEMBL27526581

データベース識別子

CAS: 16331-46-7
PubChem CID: 140059
DTXSID: DTXSID40167565
EC Number: 605-323-6
Nikkaji: J32.749B

物性

構造計算による物性

XLogP: 3.4
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: 151

物理化学的性質

融点: 22 °C · 22 °C
沸点: 142 · 142-145 °C20 mm Hg(lit.)
比重(密度): 1.2 · 1.2
屈折率: 20 · n20/D 1.5672(lit.)
闪点: 230 °F · >230 °F
外見: 液体または LMS
比重: 1.2 · 1.20
色: 無色から黄色または白色から黄色
InChI: 1S/C9H9ClO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
InChIKey: XLWQUESMILVIPR-UHFFFAOYSA-N
SMILES: CCOc1ccc(cc1)C(Cl)=O
CAS データベース: 16331 · 16331-46-7(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Ethoxybenzoyl chloride(16331-46-7)

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]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): 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+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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.