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기본 정보
- CAS
187035-79-6- 표준 SMILES
CCOC(=O)c1cnc(Cl)nc1C(F)(F)F- InChIKey
UDDSDBJYAMHCCW-UHFFFAOYSA-N- 분자식
- C8H6ClF3N2O2
- 평균 분자량
- 254.59 g/mol
- 단동위원소 질량
- 254.0069896
이름 및 식별자
- 우선 이름
- Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
- IUPAC
- ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
- 영어명
- ETHYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
- 분자식
- C8H6ClF3N2O2
- 분자량
- 254.59
이름 및 동의어
Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-6DTXSID10381655RefChem:342718DTXCID90332680671-389-8MFCD01312372Ethyl 2-chloro-4-(trifluoromethyl)-pyrimidine-5-carboxylateAC-9379SB60538ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate, AldrichCPR5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, ethyl ester
이름 더 보기
2-Chloro-4-(triEthyl 2-chloro-4-(trifluoromethyl)pyrimidine-2-Chloro-5-(ethoxycarbonyl)-4-(trifluoromethyl)pyrimidineEthyl 2-chloro-4-(trifluoromethyl)pyrimidne-5-carboxylate ,97%Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate ,97%2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl esterETHYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE ISO 9001：2015 REACH
ethyl 2-chloro-4-(trifluoromethyl)pyrimidne-5-carboxylateSCHEMBL1549128SCHEMBL30617280ethyl2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate2-chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl esterSBB053947AKOS005064004AB08490
데이터베이스 식별자
- CAS
187035-79-6- PubChem CID
- 2780355
- DTXSID
DTXSID10381655- EC Number
- 671-389-8
- Nikkaji
- J804.879G
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 52.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 262
물리화학적 성질
- 끓는 점
- 336.2 · 336.2±42.0 °C(Predicted)
- 밀도
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- -5.61 · -5.61±0.29(Predicted)
- 물리적 상태
- 액체
- 색상
- 투명한
화학적 성질
liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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 3 reports by companies from 3 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 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 29335990
- hazard_code
- Xi
화학 및 산업
응용 분야
용도Intermediate for life science products. Attributes For further information please contact us Contact
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하류 제품
공급사100 곳
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22건
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