2-시아노-5-플루오로페닐보론산피나콜에스테르

4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

HCID 22180788

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 463335-96-8
표준 SMILES: CC1(C)OB(c2cc(F)ccc2C#N)OC1(C)C
InChIKey: ZULLJYIMHRJPQA-UHFFFAOYSA-N
분자식: C13H15BFNO2
평균 분자량: 247.07 g/mol
단동위원소 질량: 247.117987

이름 및 식별자

우선 이름: 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
IUPAC: 4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
현지명: 2-시아노-5-플루오로페닐보론산피나콜에스테르
영어명: 2-Cyano-5-fluorophenylboronic acid pinacol ester
분자식: C13H15BFNO2
분자량: 247.07

이름 및 동의어

463335-96-84-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileDTXSID40623313RefChem:292755DTXCID30574067970-497-52-CYANO-5-FLUOROPHENYLBORONIC ACID PINACOL ESTERMFCD098785402-Cyano-5-fluorophenylboronic acid, pinacol esterSCHEMBL2645798SCHEMBL29929462ZULLJYIMHRJPQA-UHFFFAOYSA-N

이름 더 보기

2-시아노-5-플루오로페닐보론산피나콜에스테르2-Cyano-5-fluorobenzeneboronic acid pinacol ester, 96%4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ben

4-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-benzonitrileAKOS015842127AB53941BENZONITRILE, 4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-NCGC00662950-01AS-47613DB-364995CS-0135365

데이터베이스 식별자

CAS: 463335-96-8
PubChem CID: 22180788
DTXSID: DTXSID40623313
EC Number: 970-497-5

물성

구조 계산 물성

극성 표면적: 42.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 360

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

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.