2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester
기본 정보
- CAS
188781-15-9- 표준 SMILES
CCOC(=O)c1cnc(C(F)(F)F)nc1C(F)(F)F- InChIKey
SRFVAGSJHJMMME-UHFFFAOYSA-N- 분자식
- C9H6F6N2O2
- 평균 분자량
- 288.15 g/mol
- 단동위원소 질량
- 288.03334641
이름 및 식별자
- 우선 이름
- 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 2,4-bis(trifluoromethyl)pyrimidine-5-carboxylate
- 영어명
- Ethyl-2-trifluoromethyl-4-trifluoromethyl-5-pyrimidine carboxylate
- 분자식
- C9H6F6N2O2
- 분자량
- 288.15
이름 및 동의어
2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl esterRefChem:443096695-856-0188781-15-9Ethyl 2,4-bis(trifluoromethyl)pyrimidine-5-carboxylateMFCD073673852,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylicacid ethyl esterethyl-2-TRIFLUOROmethyl-4-TRIFLUOROmethyl-5-PYRIMIDINE CARBOXYLATE5-Pyrimidinecarboxylic acid, 2,4-bis(trifluoromethyl)-, ethyl esterSCHEMBL8543216DTXSID00440861AKOS005256336
이름 더 보기
2,4-bis(Trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl esterETHYL-2-TRIFLUOROMETHYL-4-TRIFLUOROMETHYL-5-PYRIMIDINE CARBOXYLATE ISO 9001：2015 REACH
AS-5317SB57923DB-065660F237058ethyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxylateEthyl 2,4-bis-(trifluoromethyl)pyrimidine-5-carboxylateethyl-2,4-bis (trifluoromethyl)pyrimidine-5-carboxylate2,4-Bis-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester
데이터베이스 식별자
- CAS
188781-15-9- PubChem CID
- 10493558
- DTXSID
DTXSID00440861- EC Number
- 695-856-0
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 52.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 330
물리화학적 성질
- 끓는 점
- 227.1 · 227.1±40.0 °C(Predicted)
- 밀도
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- 물리적 상태
- solid
- 산도 계수 (pKa)
- -6.06 · -6.06±0.29(Predicted)
- InChI
- 1S/C9H6F6N2O2/c1-2-19-6(18)4-3-16-7(9(13,14)15)17-5(4)8(10,11)12/h3H,2H2,1H3
- InChIKey
- SRFVAGSJHJMMME-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1nc(c(cn1)C(=O)OCC)C(F)(F)F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2933998090
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
관련 반응
3건
화합물 노트
불러오는 중…