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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 640310생성일: 2026년 10월 25일

1H-피롤-2-카르복실산,4-포르밀-,메틸에스테르(9CI)

1H-피롤-2-카르복실산,4-포르밀-,메틸에스테르(9CI) · methyl 4-formyl-1H-pyrrole-2-carboxylate · 4-Formylpyrrole-2-carboxylic acid methyl ester · 2-Carbomethoxypyrrole-4-carboxaldehyde · 4-ForMyl-1H-Pyrrole-2-carboxylicacidMethylester · 1H-Pyrrole-2-carboxylic acid, 4-forMyl-, Methyl ester · 1H-Pyrrole-2-carboxylicacid,4-formyl-,methylester(9CI)

https://huagongshe.com/ko/chemical/640310

1H-피롤-2-카르복실산,4-포르밀-,메틸에스테르(9CI) 분자 구조식

식별자 및 물리적 특성

CAS No.40611-79-8
분자식C7H7NO3
평균 분자량153.14 g/mol
단동위원소 질량153.04259309 g/mol
SMILESCOC(=O)c1cc(C=O)c[nH]1
InChIKeyMIBDQVZPRVDXQP-UHFFFAOYSA-N
PubChem CID640310
EC No.695-472-3
DTXSIDDTXSID60348718
현지명1H-피롤-2-카르복실산,4-포르밀-,메틸에스테르(9CI)

화학 및 물리적 성질

XLogP0.4
극성 표면적59.2
수소 결합 공여자 수1
수소 결합 수용자 수3
회전 가능 결합 수3
무거운 원자 수11
형식 전하0
복잡도169
녹는점124-125°
끓는 점328.5±27.0 °C(Predicted)
밀도1.305±0.06 g/cm3(Predicted)
저장 조건under inert gas (nitrogen or Argon) at 2-8°C
pKa(산도 계수)13.66±0.50(Predicted)
InChIInChI=1S/C7H7NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h2-4,8H,1H3
InChIKeyMIBDQVZPRVDXQP-UHFFFAOYSA-N
SMILESN1C=C(C=O)C=C1C(OC)=O

안전 및 규제

GHS 분류WarningH317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and CategoriesSkin Sens. 1 (97.5%)
관세 코드2933998090
위험 등급IRRITANT