3′‐メトキシアセトフェノン‐2′,4′,5′,6′‐D4

3-Methoxyacetophenone

HCID 178954103

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基本情報

CAS: 1219798-58-9
標準SMILES: COc1cccc(C(C)=O)c1
InChIKey: BAYUSCHCCGXLAY-UHFFFAOYSA-N
分子式: C9H10O2
平均分子量: 150.17 g/mol

名称と識別子

優先名称: 3-Methoxyacetophenone
IUPAC: 1-(3-methoxyphenyl)ethanone
現地名: 3′‐メトキシアセトフェノン‐2′,4′,5′,6′‐D4
英語名: 3'-Methoxyacetophenone-2',4',5',6'-d4
分子式: C9H10O2
分子量: 150.18

名称と別名

3'-Methoxyacetophenone586-37-83-Methoxyacetophenone3-Acetylanisole1-(3-METHOXYPHENYL)ETHANONEm-MethoxyacetophenoneEthanone, 1-(3-methoxyphenyl)-Acetophenone, m-methoxy-NSC 65593Acetophenone, 3'-methoxy-1K3UR56Z4NEINECS 209-573-3

名称をさらに表示

3′‐メトキシアセトフェノン‐2′,4′,5′,6′‐D43′-メトキシアセトフェノン-2′,4′,5′,6′-d４3'-Methoxyacetophenone-2',4',5',6'-d43'-Methoxyacetophenone-2',4',5',6'-d4

NSC-65593AI3-26011DTXSID10207321RIVASTIGMINE HYDROGEN TARTRATE IMPURITY H [EP IMPURITY]RIVASTIGMINE HYDROGEN TARTRATE IMPURITY H (EP IMPURITY)mMethoxyacetophenone3'MethoxyacetophenoneAcetophenone, mmethoxy

データベース識別子

CAS: 1219798-58-9
ChEMBL: CHEMBL5270199
UNII: 1K3UR56Z4N
EC Number: 209-573-3
Nikkaji: J90.770G

物性

構造計算による物性

XLogP: 1.8
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: 2
重原子数: 11
形式電荷: 0
複雑度: 142

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Aromatic Compounds

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.84

Vapor Pressure0.08 [mmHg]

Physical Description · 2 件

Pale yellow liquid; [Alfa Aesar MSDS]

Liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 60% (12 of 20) of all reports.

Warning

H302 (35%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 17-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17382

Ethanone, 1-(3-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Anisole and Acetophenone. See 4-Acetylanisole.

Hazard Classes and CategoriesAcute Tox. 4 (35%)

安全データ

消防法: 危-4-3-III

化学と産業

応用分野

使用3''-Methoxyacetophenone-2'',4'',5'',6''-d4 (CAS# 1219798-58-9) is a useful isotopically labeled research compound.

サプライヤー4 社

盐城通铭生物科技有限公司15195160625 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

玺标（上海）科技有限公司18512111473 18512111473 · [email protected]

成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]

化合物ノート

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