CAS 67442-07-3 2-Chloro-N-methoxy-N-methylacetamide (HCID 2734716)

基本情報

CAS: 67442-07-3
標準SMILES: CON(C)C(=O)CCl
InChIKey: SCOJKGRNQDKFRP-UHFFFAOYSA-N
分子式: C4H8ClNO2
平均分子量: 137.56 g/mol
単同位体質量: 137.02435618

名称と識別子

優先名称: 2-Chloro-N-methoxy-N-methylacetamide
IUPAC: 2-chloro-N-methoxy-N-methylacetamide
現地名: 2-クロロ-N-メトキシ-N-メチルアセトアミド
英語名: 2-Chloro-N-methoxy-N-methylacetamide
分子式: C4H8ClNO2
分子量: 137.56

名称と別名

2-Chloro-N-methoxy-N-methylacetamideN-Methyl-N-methoxy-2-chloroacetamide2-Chloro-N-methoxy-N-methyl acetamide2V3FHW6LWFN-methoxy-N-methylchloroacetamideAcetamide, 2-chloro-N-methoxy-N-methyl-DTXSID90370461.ALPHA.-CHLORO-N-METHOXY-N-METHYLACETAMIDERefChem:86428DTXCID70321496ALPHA-CHLORO-N-METHOXY-N-METHYLACETAMIDE629-377-5

名称をさらに表示

2-クロロ-N-メトキシ-N-メチルアセトアミド2-クロロ-N-メチルアセトヒドロキサム酸メチル2-クロロ-N-メトキシ-N-メチルアセトアミド, 98%100823EOS-608142-Chloro-N-methylacetohydroxamateN-(Chloroacetyl)-N-methoxymethylamine2-Chloro-N-methoxy-N-methylacetamide,97%2-Chloro-N-methoxy-N-methylacetamide 98%Methyl 2-Chloro-N-methylacetohydroxamate

67442-07-3MFCD001342322-chloro-N-methoxy-N-methyl-acetamideUNII-2V3FHW6LWFEC 629-377-5STR09629a-Chloro-N-methoxy-N-methylacetamideAKOS005207299

データベース識別子

CAS: 67442-07-3
PubChem CID: 2734716
DTXSID: DTXSID90370461
UNII: 2V3FHW6LWF
EC Number: 629-377-5
Nikkaji: J718.116G

物性

構造計算による物性

XLogP: 0.4
極性表面積: 29.5 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: 8
形式電荷: 0
複雑度: 86.1

物理化学的性質

融点: 39 · 39-41 °C(lit.)
沸点: 94 · 94-95 °C
比重(密度): 1.178 · 1.178±0.06 g/cm3 (20 ºC 760 Torr)
闪点: 220 °F · 220 °F
貯蔵温度: 2 · 2-8°C
外見: クリスタル
色: 白色～淡黄色
水溶解度: 水に不溶。
BRN: 1924015 · 1924015
InChI: InChI=1S/C4H8ClNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3
InChIKey: SCOJKGRNQDKFRP-UHFFFAOYSA-N
SMILES: C(N(OC)C)(=O)CCl
CAS データベース: 67442 · 67442-07-3(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystals

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Cease Manufacture Update: 18-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/12433

Hazard Classes and CategoriesAcute Tox. 4 (87.5%)

安全データ

wgk: 3
hs_code: 29241900
risk_code: 20/21/22
hazard_code: Xn
safety_code: 23-26-27-28-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用2-Chloro-N-methoxy-N-methylacetamide is used in the preparation of 2-heptyl-3-hydroxy-4(1H)-quinolone (Pseudomonas quinolone signal or PQS) and structurally related 2-alkyl-4-quinolones having biological activity, 2-(benzo[d]thiazol-2-ylsulfonyl)-N-methoxy-N-methylacetamide and α-chloro-ketone, starting reagent for the one-pot synthesis of 2-heptyl-3-hydroxyl-4(1H)-quinolone (PQS), signaling molecule in the quorum sensing of Pseudomonas aeruginosa.

一般的な説明2-Chloro-N-methoxy-N-methylacetamide is a Weinreb amide.