2-메톡시-5-트리플루오로메틸페닐보론산

2-Methoxy-5-(trifluoromethyl)phenylboronic acid

HCID 2782676

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 240139-82-6
표준 SMILES: COc1ccc(C(F)(F)F)cc1B(O)O
InChIKey: PXDQUMRSSQYJSX-UHFFFAOYSA-N
분자식: C8H8BF3O3
평균 분자량: 219.96 g/mol
단동위원소 질량: 220.05185918

이름 및 식별자

우선 이름: 2-Methoxy-5-(trifluoromethyl)phenylboronic acid
IUPAC: [2-methoxy-5-(trifluoromethyl)phenyl]boronic acid
현지명: 2-메톡시-5-트리플루오로메틸페닐보론산
영어명: 2-Methoxy-5-trifluoromethylphenylboronic acid
분자식: C8H8BF3O3
분자량: 219.95

이름 및 동의어

240139-82-62-METHOXY-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID2-METHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID2-Methoxy-5-(trifluoromethyl)benzeneboronic acid[2-methoxy-5-(trifluoromethyl)phenyl]boronic AcidMFCD04039222(2-Methoxy-5-trifluoromethylphenyl)boronic acid(2-Methoxy-5-(trifluoromethyl)phenyl)boronic acidSCHEMBL319585SCHEMBL29588618DTXSID50382207SBB052533

이름 더 보기

2-메톡시-5-트리플루오로메틸페닐보론산AKOS BRN-01942-Methoxy-5-(trifL3-Borono-4-methoxybenzotrifluoride5-(trifluoroMethyl)-2-Methoxyphenylboronic acidB-[2-Methoxy-5-(trifluoromethyl)phenyl]boronic acidBoronic acid,B-[2-Methoxy-5-(trifluoroMethyl)phenyl]-

AKOS004116395AB17317CS-W014758AS-17803SY019772DB-0104612-methoxy-5-trifluoromethyl-phenylboronic acid2-methoxy-5-trifluoromethylbenzeneboronic acid

데이터베이스 식별자

CAS: 240139-82-6
PubChem CID: 2782676
DTXSID: DTXSID50382207
EC Number: 691-961-0

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 210

물리화학적 성질

녹는점: 144 · 144-148℃
끓는 점: 325.4 · 325.4±52.0 °C(Predicted)
밀도: 1.36 · 1.36±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 7.57 · 7.57±0.58(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.