디메틸[2-니트로-4-(트리플루오로메틸)페닐]말로네이트

1,3-Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate

HCID 2763558

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

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

공급사15 곳

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]

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