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

HCID 44755210

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1035235-29-0
표준 SMILES: CC1(C)OB(c2ccc(C#N)cc2F)OC1(C)C
InChIKey: FEUINZSEHIJUBU-UHFFFAOYSA-N
분자식: C13H15BFNO2
평균 분자량: 247.07 g/mol
단동위원소 질량: 247.11798734

이름 및 식별자

우선 이름: 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
IUPAC: 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
영어명: 4-Cyano-2-fluorobenzeneboronic acid, pinacol ester
분자식: C13H15BFNO2
분자량: 247.0731032

이름 및 동의어

1035235-29-03-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileDTXSID10660654RefChem:501708DTXCID50611403690-897-04-Cyano-2-fluorophenylboronic acid pinacol ester4-CYANO-2-FLUOROPHENYLBORONIC ACID, PINACOL ESTERMFCD099981624-Cyano-2-fluorobenzeneboronic acid, pinacol esterSCHEMBL156525

이름 더 보기

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

MB08382Z17419808724-Cyano-2-fluorophenylboronic acid pinacol ester, AldrichCPR4-Cyano-2-fluorophenylboronicAcidPinacolEsterFT-0697216A896428SCHEMBL293581854-Cyano-2-fluorophenylboronic ac

데이터베이스 식별자

CAS: 1035235-29-0
PubChem CID: 44755210
DTXSID: DTXSID10660654
EC Number: 690-897-0

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: Store at Room Tem.

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, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.