CAS 1993-03-9 2-Fluorophenylboronic acid (HCID 2734354)

기본 정보

CAS: 1993-03-9
표준 SMILES: OB(O)c1ccccc1F
InChIKey: QCSLIRFWJPOENV-UHFFFAOYSA-N
분자식: C6H6BFO2
평균 분자량: 139.92 g/mol
단동위원소 질량: 140.04448805

이름 및 식별자

우선 이름: 2-Fluorophenylboronic acid
IUPAC: (2-fluorophenyl)boronic acid
영어명: 2-Fluorophenylboronic acid
분자식: C6H6BFO2
분자량: 139.92

이름 및 동의어

2-Fluorophenylboronic acido-fluorophenylboronic acidRefChem:472651671-858-71993-03-9(2-fluorophenyl)boronic acid2-Fluorobenzeneboronic AcidBoronic acid, B-(2-fluorophenyl)-(2-fluorophenyl)boranediolMFCD00674013o-fluorobenzeneboronic acid2-fluorophenyl boronic acid

이름 더 보기

2-Fluorophenylboronic2-Flurorphenylboronic acidAKOS BRN-01042-fluoroborateRARECHEM AH PB 02152-Fluorophenylboronio-FluorphenylborsaeureTavaborole Impurity 30uorobenzeneboronic acid

2-fluorobenzene boronic acid(2-fluorophenyl) boronic acid(2-Fluorophenyl)boronato(2-)34-03-7DTXSID30941836EN300-887182-FluorophenylboronicacidBORONIC ACID, (2-FLUOROPHENYL)-

데이터베이스 식별자

CAS: 1993-03-9
PubChem CID: 2734354
DTXSID: DTXSID30941836
ChEMBL: CHEMBL505047
UNII: 4E2YNT8MZR
EC Number: 671-858-7
Nikkaji: J1.088.588D

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: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 101 · 101-110 °C (lit.)
끓는 점: 267.8 · 267.8±42.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 8.32 · 8.32±0.58(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 밝은 노란색
BRN: 3030413 · 3030413
InChI: InChI=1S/C6H6BFO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
InChIKey: QCSLIRFWJPOENV-UHFFFAOYSA-N
SMILES: B(C1=CC=CC=C1F)(O)O

화학적 성질

white to light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (90.9%): 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 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (90.9%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36/37/39-27-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Fluorophenylboronic Acid, is used in Rh-catalyzed enantioselective addition reactions, and Rhodium and Palladium-catalyzed substitution reactions. It can also be used in the preparation of phenylboronic catechol esters as promising anion receptors for polymer electrolytes.