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기본 정보
- CAS
40611-85-6- 표준 SMILES
CCOC(=O)c1cc(C)c[nH]1- InChIKey
RWFKYBVNHRKZSN-UHFFFAOYSA-N- 분자식
- C8H11NO2
- 평균 분자량
- 153.18 g/mol
- 단동위원소 질량
- 153.07897859
이름 및 식별자
- 우선 이름
- Ethyl 4-methyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 4-methyl-1H-pyrrole-2-carboxylate
- 현지명
- 4-METHYL-2-PYRROLECARBOXYLICACIDETHYL에스테르
- 영어명
- 4-Methyl-2-pyrrolecarboxylic acid ethyl ester
- 분자식
- C8H11NO2
- 분자량
- 153.18
이름 및 동의어
40611-85-6ethyl 4-methyl-1H-pyrrole-2-carboxylateEthyl 4-Methyl-2-pyrrolecarboxylateDTXSID50349153RefChem:595461DTXCID10300225672-691-24-Methyl-2-pyrrolecarboxylic Acid Ethyl EsterMFCD00191668Ethyl 4-methylpyrrole-2-carboxylateAC-234714-methyl-2-pyrrolecarboxylate ethyl ester
이름 더 보기
4-METHYL-2-PYRROLECARBOXYLICACIDETHYL에스테르Ethyl4-Methyl-2-pyrrolecarboxylate>Methylpyrrolecarboxylicacidethylester1-ethyl-4-Methyl-1H-pyrrole-2-carboxylateETHYL 4-METHYL-2-PYRROLECARBOXYLATE / 40611-85-64-METHYL-2-PYRROLECARBOXYLIC ACID ETHYL ESTER 98+%
4-methyl-1 H-pyrrole-2-carboxylic acid ethyl esterEthyl4-Methyl-2-pyrrolecarboxylate4-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester1H-Pyrrole-2-carboxylic acid, 4-methyl-, ethyl esterAM20120624FT-06020743-methyl-5-carbethoxypyrroleSCHEMBL2148753
데이터베이스 식별자
- CAS
40611-85-6- PubChem CID
- 643361
- DTXSID
DTXSID50349153- EC Number
- 672-691-2
- Nikkaji
- J352.633J
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 42.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 147
물리화학적 성질
- 녹는점
- 43 °C · 43°C
- 끓는 점
- 104 °C · 104°C 1mm
- 밀도
- 1.106 · 1.106
- 인화점
- 114 ℃ · 114℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 15.54 · 15.54±0.50(Predicted)
- 색상
- 흰색에서 거의 흰색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)
안전 데이터
- HS 번호
- 2933998090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
상·하류 제품 정보
하류 제품
공급사74 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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