기본 정보
- CAS
16097-64-6- 표준 SMILES
FC(F)(F)c1cc(Cl)nc(Cl)n1- InChIKey
ZTNFYAJHLPMNSN-UHFFFAOYSA-N- 분자식
- C5HCl2F3N2
- 평균 분자량
- 216.97 g/mol
- 단동위원소 질량
- 215.9468879
이름 및 식별자
- 우선 이름
- 2,4-Dichloro-6-(trifluoromethyl)pyrimidine
- IUPAC
- 2,4-dichloro-6-(trifluoromethyl)pyrimidine
- 영어명
- 2,4-dichloro-6-(trifluoromethyl)pyrimidine
- 분자식
- C5HCl2F3N2
- 분자량
- 216.98
이름 및 동의어
2,4-dichloro-6-(trifluoromethyl)pyrimidine16097-64-6pyrimidine, 2,4-dichloro-6-(trifluoromethyl)-DTXSID40319027RefChem:82348DTXCID50270150802-203-7InChI=1/C5HCl2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h12,4-Dichloro-6-trifluoromethylpyrimidineMFCD09910264NSC3385932,4-dichloro-6-trifluoromethyl-pyrimidine
이름 더 보기
4-Dichloro-6-(trifluoromethyl)pyrimidine2,4-Dichloro-6-(trifluoromethyl)-1,3-diazine2,4-Dichloro-6-(trifluoromethyl)pyrimidine 98%2,4-dichloro-6-(trifluoromethyl)pyrimidine ISO 9001：2015 REACH
2,4-dichloro-6-(trifluoromethyl)-pyrimidineSCHEMBL628056AKOS005063578AB55075CS-W004717NSC-338593AC-27632SY009599
데이터베이스 식별자
- CAS
16097-64-6- PubChem CID
- 334203
- DTXSID
DTXSID40319027- EC Number
- 802-203-7
- Nikkaji
- J2.305.064A
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 25.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 163
물리화학적 성질
- 녹는점
- -48 · -48--46 °C
- 끓는 점
- 37 · 37-38 °C(Press: 0.7 Torr)
- 밀도
- 1.589 · 1.589
- 굴절률
- 1.464 · 1.4640
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- -7.56 · -7.56±0.32(Predicted)
- 물리적 상태
- 액체
- 색상
- 옅은 노랑
- InChI
- InChI=1S/C5HCl2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h1H
- InChIKey
- ZTNFYAJHLPMNSN-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(C(F)(F)F)=CC(Cl)=N1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 29335990
화학 및 산업
응용 분야
용도2,4-Dichloro-6-trifluoromethylpyrimidine is a useful synthetic intermediate. It can be used to synthesize 2,4-diaminopyrimidines derivatives that show antiplasmodial activities.
상·하류 제품 정보
상류 원료
하류 제품
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