4-Benzyloxy-3-fluorophenylboronic Acid

HCID 2737788

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 133057-83-7
표준 SMILES: OB(O)c1ccc(OCc2ccccc2)c(F)c1
InChIKey: DQPDLDQJMUGVGI-UHFFFAOYSA-N
분자식: C13H12BFO3
평균 분자량: 246.04 g/mol
단동위원소 질량: 246.08635286

이름 및 식별자

우선 이름: 4-Benzyloxy-3-fluorophenylboronic Acid
IUPAC: (3-fluoro-4-phenylmethoxyphenyl)boronic acid
영어명: 4-(Benzyloxy)-3-fluorophenylboronic acid
분자식: C13H12BFO3
분자량: 246.04

이름 및 동의어

4-Benzyloxy-3-fluorophenylboronic acidRefChem:518520675-638-1133057-83-74-(Benzyloxy)-3-fluorophenylboronic acid4-benzyloxy-3-fluorobenzeneboronic acidMFCD00994627(4-(benzyloxy)-3-fluorophenyl)boronic acid[4-(benzyloxy)-3-fluorophenyl]boronic acid(3-fluoro-4-phenylmethoxyphenyl)boronic acidBoronic acid, B-[3-fluoro-4-(phenylmethoxy)phenyl]-(3-Fluoro-4-benzyloxyphenyl)boronic acid

이름 더 보기

oxy-3-fLAKOS BRN-0078CAS:133057-83-71-formylphenylboronic acid4-Benzyloxy-3-fluorophenylboro[(4-Borono-2-fluorophenoxy)methyl]benzene4-Benzyloxy-3-fluorobenzeneboronicacid97%

Boronic acid, [3-fluoro-4-(phenylmethoxy)phenyl]-4-Benzyloxy-3-fluorophenylboronicacidSCHEMBL212034SCHEMBL29954345DTXSID90372243DQPDLDQJMUGVGI-UHFFFAOYSA-NSBB063860STK031012

데이터베이스 식별자

CAS: 133057-83-7
PubChem CID: 2737788
DTXSID: DTXSID90372243
EC Number: 675-638-1
Nikkaji: J2.151.761E

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 246

물리화학적 성질

녹는점: 116 °C · 116 °C
끓는 점: 428 · 428.0±55.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 7.61 · 7.61±0.17(Predicted)
색상: 흰색에서 거의 흰색

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (14.3%): 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.