CAS 830346-46-8 N-(2-Fluoro-6-(trifluoromethyl)benzyl)urea (HCID 22037856)

기본 정보

CAS: 830346-46-8
표준 SMILES: NC(=O)NCc1c(F)cccc1C(F)(F)F
InChIKey: NLKRQVSNIXWLBR-UHFFFAOYSA-N
분자식: C9H8F4N2O
평균 분자량: 236.17 g/mol
단동위원소 질량: 236.05727576

이름 및 식별자

우선 이름: N-(2-Fluoro-6-(trifluoromethyl)benzyl)urea
IUPAC: [2-fluoro-6-(trifluoromethyl)phenyl]methylurea
현지명: 1-(2-플루오로-6-(트리플루오로에틸)벤질)우레아
영어명: 1-(2-Fluoro-6-(trifloromethyl)benzyl)urea
분자식: C9H8F4N2O
분자량: 236.17

이름 및 동의어

830346-46-8N4JSG57PWFN-[2-fluoro-6-(trifluoromethyl)benzyl]ureaDTXSID30621904N-[[2-Fluoro-6-(trifluoromethyl)phenyl]methyl]ureaN-(2-Fluoro-6-(trifluoromethyl)benzyl)ureaN-((2-Fluoro-6-(trifluoromethyl)phenyl)methyl)ureaN-{[2-Fluoro-6-(trifluoromethyl)phenyl]methyl}ureaRefChem:1091039DTXCID205726581-(2-fluoro-6-(trifluoromethyl)benzyl)ureaElagolix Impurity 2

이름 더 보기

1-(2-플루오로-6-(트리플루오로에틸)벤질)우레아Eelagolix-2Elagolix KSM-1 UreaElagolix Impurity 14elagolix intermediate 31-2-Fluoro-6-trifluoromethylbenzyl ureaN-[2-fluoro-6-(trifluoromethyl)benzy]urea

[2-FLUORO-6-(TRIFLUOROMETHYL)PHENYL]METHYLUREA1-(2-Fluoro-6-(trifloromethyl)benzyl)ureaMFCD125466441-[2-Fluoro-6-(trifluoromethyl)benzyl]ureaUrea, [[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-(2-Fluoro-6-trifluoromethyl-benzyl)-ureaUrea, ((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-Urea, N-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-

데이터베이스 식별자

CAS: 830346-46-8
PubChem CID: 22037856
DTXSID: DTXSID30621904
UNII: N4JSG57PWF

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 256

물리화학적 성질

끓는 점: 268.8 · 268.8±40.0 °C(Predicted)
밀도: 1.392 · 1.392±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 12.86 · 12.86±0.46(Predicted)
InChI: InChI=1S/C9H8F4N2O/c10-7-3-1-2-6(9(11,12)13)5(7)4-15-8(14)16/h1-3H,4H2,(H3,14,15,16)
InChIKey: NLKRQVSNIXWLBR-UHFFFAOYSA-N
SMILES: N(CC1=C(C(F)(F)F)C=CC=C1F)C(N)=O

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development and chemical production processes.