4-Chloro-3-fluorophenylboronic Acid

HCID 2778656CAS 137504-86-0

기본 정보

표준 SMILES: OB(O)c1ccc(Cl)c(F)c1
InChIKey: CMJQIHGBUKZEHP-UHFFFAOYSA-N
분자식: C6H5BClFO2
평균 분자량: 174.37 g/mol
단동위원소 질량: 174.0055157

이름 및 식별자

우선 이름: 4-Chloro-3-fluorophenylboronic Acid
IUPAC: (4-chloro-3-fluorophenyl)boronic acid
영어명: 4-Chloro-3-fluorobenzeneboronic acid
분자식: C6H5BClFO2
분자량: 174.37

이름 및 동의어

4-Chloro-3-fluorophenylboronic acid137504-86-0DTXSID70381055RefChem:291643DTXCID50332080675-622-4(4-chloro-3-fluorophenyl)boronic acid4-Chloro-3-fluorobenzeneboronic acidMFCD01319010Boronic acid, B-(4-chloro-3-fluorophenyl)-3-FLUORO-4-CHLOROPHENYLBORONIC ACID(4-chloro-3-fluoro-phenyl)boronic Acid

이름 더 보기

AKOS BRN-0033BIO-FARMA BF0004494-Chloro-3-fluoroben4-Chloro-3-fluorobenzeneboronicacid98%4-CHLORO-3-FLUOROPHENYLBORONIC ACID 98%B-(3-Fluoro-4-chlorophenyl)boronic acid4-Chloro-3-fluorophenylboronic acid ,98%

4-Chloro-3-fluorophenylboronic acid (contains varying amounts of Anhydride)Boronic acid, (4-chloro-3-fluorophenyl)-B-(4-chloro-3-fluorophenyl)-boronic acidSCHEMBL310780orb2940042SCHEMBL29465759CMJQIHGBUKZEHP-UHFFFAOYSA-N4-chloro3-fluorophenylboronic acid

데이터베이스 식별자

CAS: 137504-86-0
PubChem CID: 2778656
DTXSID: DTXSID70381055
EC Number: 675-622-4
Nikkaji: J2.207.318D

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: 136

물리화학적 성질

녹는점: 198 · 198-204℃
끓는 점: 302.6 · 302.6±52.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 7.31 · 7.31±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C6H5BClFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChIKey: CMJQIHGBUKZEHP-UHFFFAOYSA-N
SMILES: B(C1=CC=C(Cl)C(F)=C1)(O)O

화학적 성질

Off-white Cryst

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 4 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: WGK 3
HS 번호: 29319000
risk_code: 36/37/38-41-37/38
hazard_code: Xi
safety_code: 26-36/37/39-36-39-60-37
위험 등급: IRRITANT
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

개요4-Chloro-3-fluorobenzeneboronic acid is a key building block in organic synthesis, commonly utilized in Suzuki-Miyaura cross-coupling reactions to form aryl-aryl bonds.

용도suzuki reaction