기본 정보
- CAS
719268-92-5- 표준 SMILES
CC1(C)OB(c2cncc(F)c2)OC1(C)C- InChIKey
VFMTUTYBMBTIGA-UHFFFAOYSA-N- 분자식
- C11H15BFNO2
- 평균 분자량
- 223.05 g/mol
- 단동위원소 질량
- 223.11798734
이름 및 식별자
- 우선 이름
- 3-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- IUPAC
- 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- 영어명
- 3-FLUORO-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIDINE
- 분자식
- C11H15BFNO2
- 분자량
- 223.05
이름 및 동의어
3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineRefChem:501830805-081-3719268-92-53-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine3-Fluoropyridine-5-boronic acid pinacol esterMFCD077807545-Fluoropyridine-3-boronic acid pinacol ester5-Fluoropyridine-3-boronic acid, pinacol ester3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine3-Fluoropyridine-5-boronic acid, pinacol esterDTXSID50585993
이름 더 보기
5-fluoropyridine-3-borate5-Fluoropyridinyl-3-boronicacidpinacolate5-Fluoro-3-pyridylboronic Acid Pinacol Ester3-Fluoropyridine-5-boronic acid pinacol eater5-Fluoropyridin-3-ylboronic acid pinacol ester3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)(3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine)2-(5-Fluoro-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyri...
AKOS015842141(5-FLUOROPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERAB42551AC-33452SY025633CS-0109834Z1336745108FT-0685800
데이터베이스 식별자
- CAS
719268-92-5- PubChem CID
- 16414268
- DTXSID
DTXSID50585993- EC Number
- 805-081-3
물성
구조 계산 물성
- 극성 표면적
- 31.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 257
물리화학적 성질
- 녹는점
- 55 to · 55.0 to 59.0 °C
- 끓는 점
- 294.5 · 294.5±25.0 °C(Predicted)
- 밀도
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 2.8 · 2.80±0.22(Predicted)
- 색상
- 흰색에서 거의 흰색
- InChI
- 1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-9(13)7-14-6-8/h5-7H,1-4H3
- InChIKey
- VFMTUTYBMBTIGA-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2cncc(F)c2
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (75%)
안전 데이터
- wgk
- 3
- HS 번호
- 2933399990
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 11 - Combustible Solids
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