5-Fluoro-2-methylphenylboronic acid

HCID 2783190

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 163517-62-2
표준 SMILES: Cc1ccc(F)cc1B(O)O
InChIKey: QKOJLMKWBRBZNQ-UHFFFAOYSA-N
분자식: C7H8BFO2
평균 분자량: 153.95 g/mol
단동위원소 질량: 154.06013812

이름 및 식별자

우선 이름: 5-Fluoro-2-methylphenylboronic acid
IUPAC: (5-fluoro-2-methylphenyl)boronic acid
영어명: 5-Fluoro-2-methylphenylboronic acid
분자식: C7H8BFO2
분자량: 153.95

이름 및 동의어

5-Fluoro-2-methylphenylboronic acid163517-62-2(5-fluoro-2-methylphenyl)boronic acidDTXSID80382497RefChem:535842DTXCID00333522672-921-12-Methyl-5-fluorophenylboronic acid5-Fluoro-2-methylbenzeneboronic acidMFCD03095047Boronic acid, B-(5-fluoro-2-methylphenyl)-(5-fluoro-2-methyl-phenyl)boronic Acid

이름 더 보기

AKOS BRN-06685-Fluoro-2-Methylphe2-Borono-4-fluorotoluene5-fluoro-o-tolylboronic acid4-Fluorotoluene-2-boronic acid5-Fluoro-2-methylphenylboronicaci5-Fluoro-2-methylphenyl boronic acid ,98%

SCHEMBL3378135-Fluoro-2-methylphenyl boronic acid2-methyl-5-fluorobenzene boronic acid(2-methyl-5-fluorophenyl)boronic acidAKOS004114070SY007909EN300-202254Z381540970

데이터베이스 식별자

CAS: 163517-62-2
PubChem CID: 2783190
DTXSID: DTXSID80382497
EC Number: 672-921-1

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 144 · 144-148 °C (lit.)
끓는 점: 287.7 · 287.7±50.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 7.57 · 7.57±0.58(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChI: 1S/C7H8BFO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,10-11H,1H3
InChIKey: QKOJLMKWBRBZNQ-UHFFFAOYSA-N
SMILES: Cc1ccc(F)cc1B(O)O

화학적 성질

White solid

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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.