3-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)

HCID 2734660

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 144432-85-9
표준 SMILES: OB(O)c1ccc(F)c(Cl)c1
InChIKey: WJDZZXIDQYKVDG-UHFFFAOYSA-N
분자식: C6H5BClFO2
평균 분자량: 174.37 g/mol
단동위원소 질량: 174.0055157

이름 및 식별자

우선 이름: 3-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)
IUPAC: (3-chloro-4-fluorophenyl)boronic acid
영어명: 3-Chloro-4-fluorophenylboronic acid
분자식: C6H5BClFO2
분자량: 174.37

이름 및 동의어

3-Chloro-4-fluorophenylboronic acid (contains varying amounts of Anhydride)RefChem:499973675-657-53-Chloro-4-fluorophenylboronic acid144432-85-9(3-chloro-4-fluorophenyl)boronic acid3-Chloro-4-fluorobenzeneboronic acidMFCD00051800(3-chloro-4-fluoro-phenyl)boronic AcidBoronic acid, B-(3-chloro-4-fluorophenyl)-CHEMBL2790244-fluoro-3-chlorophenylboronic acid

이름 더 보기

AKOS BRN-0032CAS:144432-85-9(3-Chloro-4-fluoroRARECHEM AH PB 01293-Chloro-4-fluorophenylboronic acid,97%Boronic acid,(3-chloro-4-fluorophenyl)-

3-Chloro-4-fluorophenyl boronic acidB-(3-CHLORO-4-FLUOROPHENYL)-BORONIC ACID3-Chloro-4-fluorophenylboronicacid(3-Chloro-4-Fluorophenyl)BoranediolBoronic acid, (3-chloro-4-fluorophenyl)-SCHEMBL31333orb2940024DTXSID80370430

데이터베이스 식별자

CAS: 144432-85-9
PubChem CID: 2734660
DTXSID: DTXSID80370430
ChEMBL: CHEMBL279024
EC Number: 675-657-5
Nikkaji: J1.040.315D

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: 242 · 242-247 °C (lit.)
끓는 점: 306 · 306.0±52.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 7 · 7+-.0.10(Predicted)
색상: 황백색에서 희미한 오렌지색
BRN: 7369789 · 7369789
InChI: 1S/C6H5BClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H
InChIKey: WJDZZXIDQYKVDG-UHFFFAOYSA-N
SMILES: OB(O)c1ccc(F)c(Cl)c1

화학적 성질

Off-white to faintly orange 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 7 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: 3
HS 번호: 29163990
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Chloro-4-fluorophenylboronic Acid is a reactant that has been used in the synthesis of 2-bromo-3-hexyl-5-(4-iodophenyl)thiophene, which has shown high anti-thrombolytic activity.