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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 103992생성일: 2026년 10월 26일

Methyl 1-methylpyrrol-2-acetate

Methyl 2-(1-Methyl-1H-pyrrol-2-yl)acetate · 1-METHYLPYRROLE-2-ACETIC ACID METHYL ESTER · LABOTEST-BB LT00455212 · N-methyl-2-pyrrole-acetate · METHYL,1-METHYL PYRROLEACETATE · methyl 1-methylpyrrol-2-acetate · METHYL 1-METHYL-2-PYRROLEACETATE · METHYL 1-METHYLPYRROLE-2-ACETATE

https://huagongshe.com/ko/chemical/103992

Methyl 1-methylpyrrol-2-acetate 분자 구조식

식별자 및 물리적 특성

CAS No.51856-79-2
분자식C8H11NO2
평균 분자량153.18 g/mol
단동위원소 질량153.07897859 g/mol
SMILESCOC(=O)Cc1cccn1C
InChIKeyCGYVDYLHQYNGFC-UHFFFAOYSA-N
PubChem CID103992
EC No.257-478-0
DTXSIDDTXSID10199818

화학 및 물리적 성질

XLogP0.5
극성 표면적31.2
수소 결합 공여자 수0
수소 결합 수용자 수2
회전 가능 결합 수3
무거운 원자 수11
형식 전하0
복잡도147
끓는 점80-85 °C2 mm Hg(lit.)
밀도1.064 g/mL at 25 °C(lit.)
굴절률n20/D 1.501(lit.)
인화점224 °F
저장 조건2-8°C
용해도8.3g/L(20°C)
pKa(산도 계수)-3.42±0.70(Predicted)
물리적 상태투명한 액체
색상밝은 노란색에서 갈색까지
용해도8.3g/L(20℃)
InChIInChI=1S/C8H11NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h3-5H,6H2,1-2H3
InChIKeyCGYVDYLHQYNGFC-UHFFFAOYSA-N
SMILESN1(C)C=CC=C1CC(OC)=O
LogP(분배 계수)0.886 (est)
NIST1H-Pyrrole-2-acetic acid, 1-methyl-, methyl ester(51856-79-2)

화학적 성질

CLEAR ORANGE TO SLIGHTLY BROWN LIQUID

안전 및 규제

GHS 분류This chemical does not meet GHS hazard criteria for 4.5% (2 of 44) of reports.WarningH315 (95.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보Chemical: 1H-Pyrrole-2-acetic acid, 1-methyl-, methyl ester
Hazard Classes and CategoriesSkin Irrit. 2 (95.5%)
수질 위해 등급(WGK)3
관세 코드29333990
위험 문구(R)36/37/38-22
위험 표시Xi,Xn
안전 문구(S)26-37/39