2-Acetylphenylboronic acid

HCID 2734309

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 308103-40-4
표준 SMILES: CC(=O)c1ccccc1B(O)O
InChIKey: ZKAOVABYLXQUTI-UHFFFAOYSA-N
분자식: C8H9BO3
평균 분자량: 163.97 g/mol
단동위원소 질량: 164.06447455

개요

structure in first source

이름 및 식별자

우선 이름: 2-Acetylphenylboronic acid
IUPAC: (2-acetylphenyl)boronic acid
영어명: 2-Acetylphenylboronic acid
분자식: C8H9BO3
분자량: 163.97

이름 및 동의어

2-Acetylphenylboronic acid308103-40-4DTXSID50370200RefChem:85004DTXCID90321236608-542-5(2-acetylphenyl)boronic AcidMFCD013212632-ACETYLBENZENEBORONIC ACIDBORONIC ACID, (2-ACETYLPHENYL)-Boronic acid, B-(2-acetylphenyl)-2-acetylphenylboronicacid

이름 더 보기

AKOS BRN-0165CAS:308103-40-4TIMTEC-BB SBB000148RARECHEM AH PB 01612-Acetylphenylboronic2'-Boronoacetophenone2 -A CETYLBENZENEBORONIC2-Acetylbenzenboronicacid

2-acetyl-phenylboronic acid2-acetylphenyl boronic aci2-acetylphenyl boronic acid2-acetyl phenyl boronic acid2-acetyl-phenyl-boronic acidSCHEMBL519802SCHEMBL29469063ALBB-019202

데이터베이스 식별자

CAS: 308103-40-4
PubChem CID: 2734309
DTXSID: DTXSID50370200
EC Number: 608-542-5
Nikkaji: J1.983.808K

물성

구조 계산 물성

극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 170 °C · 170 °C (dec.) (lit.)
끓는 점: 349.9 · 349.9±44.0 °C(Predicted)
밀도: 1.19 · 1.19±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
산도 계수 (pKa): 8.2 · 8.20±0.58(Predicted)
물리적 상태: 분말 또는 덩어리
색상: 노란색
수용성: 물에 약간 용해됩니다.
InChI: 1S/C8H9BO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,11-12H,1H3
InChIKey: ZKAOVABYLXQUTI-UHFFFAOYSA-N
SMILES: CC(=O)c1ccccc1B(O)O

화학적 성질

white to light yellow crystal 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 46 reports by companies from 5 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: 29310095
risk_code: 36/37/38
hazard_code: Xi,C
safety_code: 26-36-37/39
위험 등급: IRRITANT
위험 참고 사항: Corrosive
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Acetylphenylboronic acid is a reactant used for a variety of coupling reactions, as well as synthesis and hydroxy masking, Suzuki-Miyaura cross-coupling reactions, rhodium-catalyzed annulation of ynamides, transient masking of hydroxy groups, cationic palladium complex-catalyzed diastereoselective tandem annulation, hydrogen peroxide mediated formation of heteroaryl ethers and copper-catalyzed transmetalation and homocoupling.