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기본 정보
- CAS
658066-44-5- 표준 SMILES
NCCc1ncc(C(F)(F)F)cc1Cl- InChIKey
BEESBQNARXNIDL-UHFFFAOYSA-N- 분자식
- C8H8ClF3N2
- 평균 분자량
- 224.61 g/mol
- 단동위원소 질량
- 224.0328104
이름 및 식별자
- 우선 이름
- 3-Chloro-5-(trifluoromethyl)-2-pyridineethanamine
- IUPAC
- 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine
- 현지명
- 2-(3-클로로-5-(트리플루오로메틸)피리딘-2-일)에탄민
- 영어명
- 2-(3-chloro-5-(trifluoroMethyl)pyridin-2-yl)ethanaMine
- 분자식
- C8H8ClF3N2
- 분자량
- 224.61
이름 및 동의어
658066-44-5RefChem:5001123-Chloro-5-(trifluoromethyl)-2-pyridineethanamine2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)ethanamine2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethanamineMFCD118483452-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)ethan-1-amine2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethan-1-amine2-[3-Chloro-5-(trifluoromethyl)-2-pyridyl]ethanamine2-(2-Aminoethyl)-3-chloro-5-(trifluoromethyl)pyridine2-(3-Chloro-5-(trifluoromethyl)-pyridin-2-yl)ethanamine2-(3-CHLORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ETHYLAMINE
이름 더 보기
2-(3-클로로-5-(트리플루오로메틸)피리딘-2-일)에탄민3-Chloro-5-(trifluoromethyl)-2-(2-aminoethyl)pyridine
Haloxyfop Impurity 32-Pyridineethanamine, 3-chloro-5-(trifluoromethyl)-SCHEMBL11220172-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamineSCHEMBL31255200DTXSID00474843AKOS016012941AB64799
데이터베이스 식별자
- CAS
658066-44-5- PubChem CID
- 11961968
- DTXSID
DTXSID00474843- EC Number
- 807-092-9
- Nikkaji
- J3.560.979B
물성
구조 계산 물성보충 중
- XLogP
- 1.7
- 극성 표면적
- 38.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 186
물리화학적 성질
- 끓는 점
- 230.5 · 230.5±35.0 °C(Predicted)
- 밀도
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 산도 계수 (pKa)
- 8.2 · 8.20±0.10(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 연노랑
- InChI
- InChI=1S/C8H8ClF3N2/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13/h3-4H,1-2,13H2
- InChIKey
- BEESBQNARXNIDL-UHFFFAOYSA-N
- SMILES
- C1(CCN)=NC=C(C(F)(F)F)C=C1Cl
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]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 1 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 Sens. 1 (100%)；Eye Irrit. 2 (100%)；Aquatic Chronic 2 (100%)
안전 데이터
- HS 번호
- 2933399990
화학 및 산업
상·하류 제품 정보
상류 원료
공급사47 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Anhui Xunrui Chemical Co., Ltd+86-18130097396 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
绍兴久孚新材料科技有限公司0575-87095566 18067860628 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
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