기본 정보
- CAS
290825-52-4- 표준 SMILES
COC(=O)C(C(=O)OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
MBAQGFLNQDHQCE-UHFFFAOYSA-N- 분자식
- C12H10F3NO6
- 평균 분자량
- 321.21 g/mol
- 단동위원소 질량
- 321.0460217
이름 및 식별자
- 우선 이름
- 1,3-Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate
- IUPAC
- dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate
- 현지명
- 디메틸[2-니트로-4-(트리플루오로메틸)페닐]말로네이트
- 영어명
- Dimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonate
- 분자식
- C12H10F3NO6
- 분자량
- 321.21
이름 및 동의어
290825-52-41,3-dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioateDimethyl 2-(2-nitro-4-trifluoromethylphenyl)malonateDimethyl 2-(2-nitro-4-(trifluoromethyl)phenyl)malonateDimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonateMFCD03617804Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]malonatedimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioatePropanedioic acid, 2-[2-nitro-4-(trifluoromethyl)phenyl]-, 1,3-dimethyl esterDimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]-malonateSCHEMBL997302Dimethyl2-(2-nitro-4-(trifluoromethyl)phenyl)malonate
이름 더 보기
디메틸[2-니트로-4-(트리플루오로메틸)페닐]말로네이트Dimethyl[2-nitro-4-(trifluoromethyl)phenyl]malonate98%Dimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonate 9Dimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonate 98%2-methyl-2-[3-methyl-2-nitro-4-(trifluoromethyl)phenyl]propanedioate290825-52-4 Propanedioic acid, 2-[2-nitro-4-(trifluoromethyl)phenyl]-, 1,3-dimethyl ester
DTXSID90377016AKOS005069795CS-0197120EN300-42581A510641W-0027F237319dimethyl 2-(2-nitro4-trifluoromethylphenyl)malonate
데이터베이스 식별자
- CAS
290825-52-4- PubChem CID
- 2763558
- DTXSID
DTXSID90377016
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 98.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 431
물리화학적 성질
- 녹는점
- 57 · 57-58°
- 저장 조건
- Sealed in dry,Room Temperature
안전 및 규제
안전 데이터
- HS 번호
- 2917198090
- hazard_code
- Xi
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도Dimethyl 2-(2-nitro-4-trifluoromethylphenyl)malonate
상·하류 제품 정보
하류 제품
공급사15 곳
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