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

이름 및 식별자

우선 이름: 2-Chloro-N-methoxy-N-methylacetamide
IUPAC: 2-chloro-N-methoxy-N-methylacetamide
영어명: 2-Chloro-N-methoxy-N-methylacetamide
분자식: C4H8ClNO2
분자량: 137.56

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 86.1

물리화학적 성질

녹는점: 39 · 39-41 °C(lit.)
끓는 점: 94 · 94-95 °C
밀도: 1.178 · 1.178±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 220 °F · 220 °F
저장 조건: 2 · 2-8°C
물리적 상태: 크리스탈
색상: 흰색에서 밝은 노란색
수용성: 물에 불용성.
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

화학적 성질

white to light yellow crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

안전 데이터

wgk: 3
HS 번호: 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
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-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.

일반 설명2-Chloro-N-methoxy-N-methylacetamide is a Weinreb amide.