N-메틸-2-니트로-4-(트리플루오로메틸)아닐린

Benzenamine, N-methyl-2-nitro-4-(trifluoromethyl)-

HCID 88405

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 20200-22-0
표준 SMILES: CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey: WNTLWKOCTHOISL-UHFFFAOYSA-N
분자식: C8H7F3N2O2
평균 분자량: 220.15 g/mol
단동위원소 질량: 220.04596196

이름 및 식별자

우선 이름: Benzenamine, N-methyl-2-nitro-4-(trifluoromethyl)-
IUPAC: N-methyl-2-nitro-4-(trifluoromethyl)aniline
현지명: N-메틸-2-니트로-4-(트리플루오로메틸)아닐린
영어명: N-Methyl-2-nitro-4-(trifluoromethyl)aniline
분자식: C8H7F3N2O2
분자량: 220.15

이름 및 동의어

N-Methyl-2-nitro-4-(trifluoromethyl)anilineN-Methyl-2-nitro-4-trifluoromethylanilineBenzenamine, N-methyl-2-nitro-4-(trifluoromethyl)-4-(Methylamino)-3-nitrobenzotrifluoride36F275E33MDTXSID7066568RefChem:199738DTXCID503621820200-22-0MFCD00798375N-methyl-2-nitro-4-(trifluoromethyl)benzenamineN-Methyl-N-[2-nitro-4-(trifluoromethyl)-phenyl]amine

이름 더 보기

N-메틸-2-니트로-4-(트리플루오로메틸)아닐린N-Methyl-2-nitro-4-(trifluoromethyl)5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanecarboxylic acid 2-chloroethyl esterN-Methyl-2-nitro-4-(trifluoromethyl)aniline, N-Methyl-2-nitro-alpha,alpha,alpha-trifluoro-p-toluidine

methyl[2-nitro-4-(trifluoromethyl)phenyl]amineEINECS 243-586-5Maybridge1_000053Methyl-(2-nitro-4-trifluoromethyl-phenyl)-amineMixCom1_000097SCHEMBL116971UNII-36F275E33MBUTTPARK 45\09-97

데이터베이스 식별자

CAS: 20200-22-0
PubChem CID: 88405
DTXSID: DTXSID7066568
UNII: 36F275E33M
EC Number: 243-586-5
Nikkaji: J280.476J

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 57.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

물리화학적 성질

녹는점: 73 · 73-75 °C(Solv: ethanol (64-17-5))
끓는 점: 262.1 · 262.1±40.0 °C(Predicted)
밀도: 1.427 · 1.427±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): -3.14 · -3.14±0.25(Predicted)
InChI: InChI=1S/C8H7F3N2O2/c1-12-6-3-2-5(8(9,10)11)4-7(6)13(14)15/h2-4,12H,1H3
InChIKey: WNTLWKOCTHOISL-UHFFFAOYSA-N
SMILES: C1(NC)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
EPA: -2 · Benzenamine, N-methyl-2-nitro-4-(trifluoromethyl)- (20200-22-0)