기본 정보
- CAS
2199-46-4- 표준 SMILES
CCOC(=O)c1[nH]c(C)c(C)c1C- InChIKey
WBOGFZDTCIQHSX-UHFFFAOYSA-N- 분자식
- C10H15NO2
- 평균 분자량
- 181.23 g/mol
- 단동위원소 질량
- 181.11027872
이름 및 식별자
- 우선 이름
- Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
- 현지명
- 에틸3,4,5-트리메틸피롤-2-카르복실레이트
- 영어명
- Ethyl 3,4,5-trimethylpyrrole-2-carboxylate
- 분자식
- C10H15NO2
- 분자량
- 181.23
이름 및 동의어
2199-46-4Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylateEthyl 3,4,5-trimethylpyrrole-2-carboxylateMFCD000519481H-Pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl esterETHYL 3,4,5-TRIMETHYL-2-PYRROLECARBOXYLATE1H-Pyrrole-2-carboxylic acid, 3,4,5-trimethyl, ethyl esterMaybridge1_001943MLS000042963SCHEMBL2565795CHEMBL1701700HMS547A07
이름 더 보기
에틸3,4,5-트리메틸피롤-2-카르복실레이트AT-51095thyl 3,4,5-trimethylpyrrole-2-carboxylateETHYL 4-METHYL-3,5-DIMETHYLPYRROLE-2-CARBOXYLATE3,4,5-Trimethylpyrrole-2-carboxylic acid ethyl ester3,4,5-TRIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTERPyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester
DTXSID60176412HMS2365M21NSC 15767NSC-15767SBB059495STK726990AKOS0055244692,3,4-Trimethyl-5-carbethoxy-pyrrole
데이터베이스 식별자
- CAS
2199-46-4- PubChem CID
- 137479
- DTXSID
DTXSID60176412- ChEMBL
CHEMBL1701700- EC Number
- 162-295-3
- Nikkaji
- J305.405E
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 42.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 193
물리화학적 성질
- 녹는점
- 125 · 125-126°C
- 끓는 점
- 298.1 · 298.1±35.0 °C(Predicted)
- 밀도
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 16.57 · 16.57±0.50(Predicted)
- BRN
- 132613 · 132613
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- safety_code
- 24/25
화학 및 산업
응용 분야
용도Octamethylporphyrin was readily obtained from ethyl 3,4,5-trimethylpyrrole-2-carboxylate. Steric control can be overridden by apparent electronic effect is demonstrated by the even bulkier pyrrole derivative, ethyl 3,4,5-trimethylpyrrole-2-carboxylate. The reaction with diazonium salts of theEthyl 3,4,5-trimethylpyrrole-2-carboxylatehas been examined in detail by chromatographic and spectroscopic methods. In the presence of a strong mineral acid, Ethyl 3,4,5-trimethylpyrrole-2-carboxylate reacts with p-nitrobenzenediazonium ions to give a red, chemically labile, azo dye.
공급사22 곳
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上海仲因实业有限公司2537653158 16621191650 · [email protected]
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