2,4-Difluorophenylboronic acid

HCID 2734334

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 144025-03-6
표준 SMILES: OB(O)c1ccc(F)cc1F
InChIKey: QQLRSCZSKQTFGY-UHFFFAOYSA-N
분자식: C6H5BF2O2
평균 분자량: 157.91 g/mol
단동위원소 질량: 158.03506624

이름 및 식별자

우선 이름: 2,4-Difluorophenylboronic acid
IUPAC: (2,4-difluorophenyl)boronic acid
영어명: 2,4-Difluorophenylboronic acid
분자식: C6H5BF2O2
분자량: 157.91

이름 및 동의어

2,4-Difluorophenylboronic acid144025-03-6DTXSID50370225RefChem:82429DTXCID40321261(2,4-difluorophenyl)boronic acid2,4-Difluorobenzeneboronic Acid2,4-DifluorophenylboronicacidMFCD01318998BORONIC ACID, B-(2,4-DIFLUOROPHENYL)-2,4-Difluorophenyl-boronic acid2,4-difluoro-phenylboronic acid

이름 더 보기

Difluorophenylboronic acidB-(2,4-Difluorophenyl)boronic acidAKOS BRN-0089CAS:144025-03-62,4-difluoroborateRARECHEM AH PB 01682,4-Difluorophenylbo2,4-Difluorophenylboric acid2,4-difluorophenylboroic acid2,4-FLUOROBENZENE BORONIC ACID

2,4-di-fluoro-phenylboronic acid2,4-Difluoro-phenyl-boronic acidAC-5375PB40679EN300-117676Z381540906(2,4-Difluorophenyl)BoranediolBoronic acid, (2,4-difluorophenyl)-

데이터베이스 식별자

CAS: 144025-03-6
PubChem CID: 2734334
DTXSID: DTXSID50370225
EC Number: 604-390-9
Nikkaji: J1.349.724I

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 134

물리화학적 성질

녹는점: 247 · 247-250 °C (lit.)
끓는 점: 251 · 251.0±50.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨, 초음파 처리), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 8.47 · 8.47±0.58(Predicted)
물리적 상태: 가루
색상: 황백색에서 밝은 베이지색 또는 노란색까지
BRN: 8616257 · 8616257
InChI: InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChIKey: QQLRSCZSKQTFGY-UHFFFAOYSA-N
SMILES: B(C1=CC=C(F)C=C1F)(O)O

화학적 성질

off-white to light beige or yellow powder

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,4-Difluorophenylboronic Acid is used as a reagent in suzuki-miyaura coupling reactions such as in the synthesis of enantiomerically pure 3,3''-bis-arylated BINOL derivatives. Also used in the synthesis of highly efficient phospherescent iridium (III) complexes which are used for light-emiiting diodes.