1-메틸-4-니트로-2-(트리클로로아세틸)-1H-피롤
2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethan-1-one
기본 정보
- CAS
120122-47-6- 표준 SMILES
Cn1cc([N+](=O)[O-])cc1C(=O)C(Cl)(Cl)Cl- InChIKey
WASYNLWEPOHNBM-UHFFFAOYSA-N- 분자식
- C7H5Cl3N2O3
- 평균 분자량
- 271.5 g/mol
- 단동위원소 질량
- 269.93657506
이름 및 식별자
- 우선 이름
- 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethan-1-one
- IUPAC
- 2,2,2-trichloro-1-(1-methyl-4-nitropyrrol-2-yl)ethanone
- 현지명
- 1-메틸-4-니트로-2-(트리클로로아세틸)-1H-피롤
- 영어명
- 1-Methyl-4-nitro-2-(trichloroacetyl)-1H-pyrrole
- 분자식
- C7H5Cl3N2O3
- 분자량
- 271.49
이름 및 동의어
120122-47-62,2,2-trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethan-1-oneDTXSID80374973RefChem:1058931DTXCID303260032,2,2-trichloro-1-(1-methyl-4-nitro-1h-pyrrol-2-yl)ethanoneN-Methyl-4-nitro-2-trichloroacetylpyrrole1-methyl-4-nitro-2-(trichloroacetyl)-1h-pyrrole1-Methyl-4-nitro-2-(trichloroacetyl)pyrrole2,2,2-trichloro-1-(1-methyl-4-nitropyrrol-2-yl)ethanoneEthanone, 2,2,2-trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)-MFCD03789117
이름 더 보기
1-메틸-4-니트로-2-(트리클로로아세틸)-1H-피롤1-methyl-4-nitro-2-trichloroacetyl pyrrole4-Nitro-2-(trichloroacetyl)-N-methylpyrrole2-(Trichloroacetyl)-1-methyl-4-nitropyrrole2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl2,2,2-TRICHLORO-1-(1-METHYL-4-NITRO-1H-PYRROL-2-YL)-ETHANONE
NSC7423964-nitro-2-trichloroacetyl-1-methylpyrrole2,2,2-trichloro-1-(1-methyl-4-nitro-pyrrol-2-yl)ethanoneC7H5Cl3N2O32,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethanone; 1-Methyl-4-nitro-2-(trichloroacetyl)pyrrole; 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethan-1-one; 2,2,2-Trichloro-1-(1-methyl-4-nitro-pyrrol-2-yl)ethanone; 2-(Trichloroacetyl)-1-methyl-4-nitropyrrole; 4-Nitro-2-(trichloroacetyl)-N-methylpyrrole2-trichloro-1-(1-methyl-4-nitro-1h-pyrrol-2-yl)ethanone1-methyl-4-nitro-2-trichloroacetylpyrroleSCHEMBL1842086
데이터베이스 식별자
- CAS
120122-47-6- PubChem CID
- 2759966
- DTXSID
DTXSID80374973- EC Number
- 673-645-4
- Nikkaji
- J1.323.927D
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 67.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 286
물리화학적 성질
- 녹는점
- 132 · 132-135°C
- 끓는 점
- 319.1 · 319.1±37.0 °C(Predicted)
- 밀도
- 1.66 · 1.66
- 저장 조건
- -15 °C · -15°C
- 산도 계수 (pKa)
- -15.07 · -15.07±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethanone can be used to develop DNA-binding TEMPO derivative to evaluate nuclear oxidative stress.
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하류 제품
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