기본 정보
- CAS
452972-14-4- 표준 SMILES
CC1(C)OB(c2cccnc2F)OC1(C)C- InChIKey
YYOZFGQOPNTVGM-UHFFFAOYSA-N- 분자식
- C11H15BFNO2
- 평균 분자량
- 223.05 g/mol
- 단동위원소 질량
- 223.11798734
이름 및 식별자
- 우선 이름
- 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- IUPAC
- 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- 영어명
- 2-Fluoropyridine-3-boronic acid pinacol ester
- 분자식
- C11H15BFNO2
- 분자량
- 223.05
이름 및 동의어
452972-14-42-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID40476866RefChem:87046DTXCID40427676670-324-02-Fluoropyridine-3-boronic acid pinacol ester2-Fluoropyridine-3-boronic acid, pinacol esterMFCD06798245PYRIDINE, 2-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-(2-FLUOROPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERAB29851
이름 더 보기
2-Fl2-fluoropyridine-3-borate acid2-Fluoropyridine-3-boronic 2-FLUOROPYRIDINE-3-BORONIC ACID PICOL ESTER2-Fluoro-3-pyridylboronic acid pinacol ester2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborol2-Fluoropyridine-3-boronic acid, pinacol ester 95%2-Fluoropyridine-3-boronic acid pinacol ester ,98%
BS-2069SY023546EN300-15875292-fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineAM20051193SCHEMBL2813914SCHEMBL31046590ALBB-012242
데이터베이스 식별자
- CAS
452972-14-4- PubChem CID
- 12067063
- DTXSID
DTXSID40476866- EC Number
- 670-324-0
- Nikkaji
- J3.545.257E
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
- 42 · 42-45°C
- 끓는 점
- 309.9 · 309.9±27.0 °C(Predicted)
- 밀도
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -0.44 · -0.44±0.12(Predicted)
- 색상
- 노란색
화학적 성질
White to light yellow solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): 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 7 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 (100%)
안전 데이터
- tsca
- No
- HS 번호
- 29319090
- risk_code
- 36/37/38
- safety_code
- 26-37
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도2-Fluoropyridine-3-boronic acid, pinacol ester
상·하류 제품 정보
상류 원료
공급사100 곳
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