CAS 149104-90-5 4-Acetylphenylboronic acid (HCID 3702122)

이름 및 식별자

우선 이름: 4-Acetylphenylboronic acid
IUPAC: (4-acetylphenyl)boronic acid
영어명: 4-Acetylphenylboronic acid
분자식: C8H9BO3
분자량: 163.97

이름 및 동의어

4-Acetylphenylboronic acid149104-90-54-Acetylbenzeneboronic AcidDTXSID90395250RefChem:517348DTXCID70346109629-086-3(4-acetylphenyl)boronic Acidp-acetylphenylboronic acidMFCD010746671-[4-(Dihydroxyboranyl)Phenyl]Ethan-1-One4-actylphenylboronic acid

이름 더 보기

AKOS BRN-0001TIMTEC-BB SBB000146RARECHEM AH PB 01624-Boronoacetophenone4-Acetylphenylboroni4-AcetylphenylboronicAcetylphenylboronic acid4-Acetylphenylboronicaci

Boronic acid, B-(4-acetylphenyl)-4-acetyl phenyl boronic acid4-acetyl-phenyl boronic acid4-Acetylbenzeneboronic Acid (contains varying amounts of Anhydride)4-Acetylphenylboronicacid4-acetylphenyl boronic acidBORONIC ACID, (4-ACETYLPHENYL)-B-(4-Acetylphenyl)boronic Acid; 4-Acetylbenzeneboronic Acid

데이터베이스 식별자

CAS: 149104-90-5
PubChem CID: 3702122
DTXSID: DTXSID90395250
ChEMBL: CHEMBL1209760
EC Number: 629-086-3
Nikkaji: J912.812C

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: 162

물리화학적 성질

녹는점: 240 · 240-244 °C(lit.)
끓는 점: 354.2 · 354.2±44.0 °C(Predicted)
밀도: 1.19 · 1.19±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
산도 계수 (pKa): 7.58 · 7.58±0.10(Predicted)
색상: 연한 노란색에서 노란색까지
수용성: 25 g/L · 25g/L
BRN: 7869162 · 7869162
InChI: 1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3
InChIKey: OBQRODBYVNIZJU-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(cc1)B(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 48 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 (100%)

안전 데이터

wgk: 3
HS 번호: 29310095
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도suzuki reaction

일반 설명4-Acetylphenylboronic acid is a boronate, belongs to a class of synthetic organic compounds. It reacts rapidly with peroxynitrite (ONOO(-)) to form stable hydroxy derivatives. It undergoes Suzuki coupling with 4-bromotriphenylamine catalyzed by dichlorobis(triphenylphosphine)Pd(II), during the synthesis of dendrimers.

상·하류 제품 정보

상류 원료

하류 제품

(4-아세틸페닐)페닐메탄 4'-(이미다졸-1-일)아세토페논 Ethyl 4-acetylbenzoate 1-(4-(Oxetan-3-yl)phenyl)ethanone 1-(4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl)ethanone CHEMBRDG-BB 4015547

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

화합물 노트

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4-Acetylphenylboronic acid

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