2-(트리플루오로메틸)피리딘-4-붕소산피나콜에스테르

2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol ester

HCID 45785708

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1036990-42-7
표준 SMILES: CC1(C)OB(c2ccnc(C(F)(F)F)c2)OC1(C)C
InChIKey: CUQOVOZIDNPNHO-UHFFFAOYSA-N
분자식: C12H15BF3NO2
평균 분자량: 273.06 g/mol
단동위원소 질량: 273.11479378

이름 및 식별자

우선 이름: 2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol ester
IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
현지명: 2-(트리플루오로메틸)피리딘-4-붕소산피나콜에스테르
영어명: 2-(Trifluoromethyl)pyridine-4-boronic acid pinacol ester
분자식: C12H15BF3NO2
분자량: 273.06

이름 및 동의어

2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol esterRefChem:462594695-959-01036990-42-74-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine2-(Trifluoromethyl)pyridine-4-boronic acid pinacol esterMFCD096076782-(TRIFLUOROMETHYL)PYRIDIN-4-YLBORONIC ACID PINACOL ESTERCS-W000625DS-14109SY067984(2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)BORONIC ACID PINACOL ESTER

이름 더 보기

2-(트리플루오로메틸)피리딘-4-붕소산피나콜에스테르2-(trifluoroMethyl)-4-(42-trifluoromethylpyridine-4-borate acid2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINAC2-Trifluoromethyl-4-pyridineboronic acid pinacol ester2- trifluoromethylpyridine -4- boric acid pinacol esterPYRIDINE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-

EN300-7615702-(TRIFLUOROMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE2-Trifluoromethylpyridine-4-boronic acid pinacol esterSCHEMBL406138SCHEMBL29506948DTXSID60671295BBL101748STL555545

데이터베이스 식별자

CAS: 1036990-42-7
PubChem CID: 45785708
DTXSID: DTXSID60671295
EC Number: 695-959-0

물성

구조 계산 물성

극성 표면적: 31.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 330

물리화학적 성질

끓는 점: 305 · 305.0±42.0 °C(Predicted)
밀도: 1.18 · 1.18
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): -0.29 · -0.29±0.22(Predicted)
물리적 상태: 가루
색상: 하얀색
InChI: InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)8-5-6-17-9(7-8)12(14,15)16/h5-7H,1-4H3
InChIKey: CUQOVOZIDNPNHO-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=NC=CC(B2OC(C)(C)C(C)(C)O2)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

ridadr: UN2811
HS 번호: 2933399990
risk_code: 25
hazard_code: T
safety_code: 45

화학 및 산업

공급사89 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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