기본 정보
- CAS
304693-64-9- 표준 SMILES
CCOC(=O)c1cnc(C(F)(F)F)nc1- InChIKey
LRUCUGOOQHJEQP-UHFFFAOYSA-N- 분자식
- C8H7F3N2O2
- 평균 분자량
- 220.15 g/mol
- 단동위원소 질량
- 220.04596196
이름 및 식별자
- 우선 이름
- Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
- IUPAC
- ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
- 영어명
- Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
- 분자식
- C8H7F3N2O2
- 분자량
- 220.15
이름 및 동의어
ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate304693-64-9DTXSID00620348RefChem:342551DTXCID80571102640-777-9MFCD097540485-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl esterethyl 2-trifluoromethylpyrimidine-5-carboxylateEthyl 2-(trifluoromethyl)SCHEMBL346837AKOS005146370
이름 더 보기
5-(Ethoxycarbonyl)-2-(trifluoromethyl)pyrimidineEthyl?2-(trifluoromethyl)pyrimidine-5-carboxylate CAS：304693-64-9ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE ISO 9001：2015 REACH
AB51523SS-5108SY027425DB-001023CS-0042048ethyl 2-trifluoromethyl-pyrimidine-5-carboxylateethyl2-(trifluoromethyl)pyrimidine-5-carboxylateEthyl 2-(trifluoromethyl)-5-pyrimidinecarboxylate
데이터베이스 식별자
- CAS
304693-64-9- PubChem CID
- 21936133
- DTXSID
DTXSID00620348- EC Number
- 640-777-9
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 52.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 224
물리화학적 성질
- 녹는점
- 65 °C · 65 °C
- 끓는 점
- 194 ℃ · 194℃
- 밀도
- 1.344 · 1.344
- 인화점
- 71 ℃ · 71℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- -3.5 · -3.50±0.22(Predicted)
- 색상
- 노란색
- InChI
- InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3
- InChIKey
- LRUCUGOOQHJEQP-UHFFFAOYSA-N
- SMILES
- C1(C(F)(F)F)=NC=C(C(OCC)=O)C=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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.
안전 데이터
- HS 번호
- 2933599590
화학 및 산업
응용 분야
용도Ethyl 2-(Trifluoromethyl)pyrimidine-5-carboxylate is used to prepare NF-κB and AP-1 gene inhibitors.
상·하류 제품 정보
상류 원료
공급사74 곳
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