4-Methoxyphenylacetyl chloride

HCID 2734688

노트 반응

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기본 정보

CAS: 4693-91-8
표준 SMILES: COc1ccc(CC(=O)Cl)cc1
InChIKey: CXJOONIFSVSFAD-UHFFFAOYSA-N
분자식: C9H9ClO2
평균 분자량: 184.62 g/mol
단동위원소 질량: 184.02910721

이름 및 식별자

우선 이름: 4-Methoxyphenylacetyl chloride
IUPAC: 2-(4-methoxyphenyl)acetyl chloride
영어명: 4-Methoxyphenylacetyl chloride
분자식: C9H9ClO2
분자량: 184.62

이름 및 동의어

4-Methoxyphenylacetyl chlorideBenzeneacetyl chloride, 4-methoxy-4-methoxybenzeneacetyl chlorideRefChem:524813628-979-5922-515-84693-91-82-(4-methoxyphenyl)acetyl chloride4-methoxyphenylacetylchloride(p-Methoxyphenyl)acetyl chlorideMFCD00075474(4-methoxyphenyl)acetyl chloride

이름 더 보기

p-Anisylacetyl chloride4-Methoxyphenacetyl chloridep-Methoxyphenacetyl chloride4-methoxyphenyl-acetic chloride4-Methoxyphenylacetyl chloride,98%4-METHOXYPHENYLACETYL CHLORIDE 98%

Benzenacetyl chloride, 4-methoxy-SCHEMBL2261244-methoxyphenyl acetyl chloride(4-methoxy-phenyl)-acetyl chloride4-Methoxyphenylacetyl chloride, 98%AKOS009157100p-Methoxyphenylacetyl chloride4-methoxyphenylacetic acid chloride

데이터베이스 식별자

CAS: 4693-91-8
PubChem CID: 2734688
DTXSID: DTXSID10196988
EC Number: 628-979-5、922-515-8
Nikkaji: J813.392A

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 151

실험 및 물리화학적 성질

SpringerMaterials PropertiesViscosity

물리화학적 성질

끓는 점: 143 °C10 · 143 °C10 mm Hg(lit.)
밀도: 1.208 g/mL · 1.208 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.54(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 액체
색상: 맑은 연한 노란색
BRN: 908061 · 908061
InChI: 1S/C9H9ClO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3
InChIKey: CXJOONIFSVSFAD-UHFFFAOYSA-N
SMILES: COc1ccc(CC(Cl)=O)cc1

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29189900
risk_code: 14-34-37
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 8-10
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도4-Methoxyphenylacetyl chloride may be used in the synthesis of:substituted spiro[4.5]decane1-(4′-hydroxybenzyl)-6, 7-dihydroxy-1, 2, 3, 4-tetrahydroisoquinoline (higenamine), a cardiotonic principle of aconite root2,5-naphthyridine(R)-(+)-nor-roefractine