데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
1218790-53-4- 표준 SMILES
Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)n1- InChIKey
MUZZCKPFJNQCIH-UHFFFAOYSA-N- 분자식
- C11H16BF3N2O2
- 평균 분자량
- 276.07 g/mol
- 단동위원소 질량
- 276.1256924
이름 및 식별자
- 우선 이름
- 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
- IUPAC
- 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
- 영어명
- 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
- 분자식
- C11H16BF3N2O2
- 분자량
- 276.06
이름 및 동의어
1218790-53-41-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLERefChem:76306815-760-61-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazoleMFCD118678681-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid, pinacol ester1H-Pyrazole, 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1-?Methyl-?4-?(4,?4,?5,?5-?tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?-?3-?(trifluoromethyl)?-1H-?Pyrazole1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifl uoromethyl)-1H-pyrazole
이름 더 보기
1-Methyl-3-(trifluoromethyl)-4-pyrazoleboronic Acid Pinacol Ester1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester >=97%1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole - [M17640]
물성
구조 계산 물성보충 중
- 극성 표면적
- 36.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 346
물리화학적 성질
- 녹는점
- 99 · 99-100°C
- 끓는 점
- 324.6 · 324.6±42.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 분말 또는 결정
- 산도 계수 (pKa)
- -0.87 · -0.87±0.10(Predicted)
- InChI
- 1S/C11H16BF3N2O2/c1-9(2)10(3,4)19-12(18-9)7-6-17(5)16-8(7)11(13,14)15/h6H,1-5H3
- InChIKey
- MUZZCKPFJNQCIH-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C1=NN(C)C=C1B2OC(C)(C)C(C)(C)O2
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Useful boronic acid pinacol ester for synthesis of various bioactive small molecules. This product was previously listed as BML00234.
공급사40 곳
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
관련 반응
2건
화합물 노트
불러오는 중…