4-Hydroxyphenylboronic acid (HCID 2734360)

이름 및 식별자

우선 이름: 4-Hydroxyphenylboronic acid
IUPAC: (4-hydroxyphenyl)boronic acid
영어명: 4-Hydroxyphenylboronic acid
분자식: C6H7BO3
분자량: 137.93

이름 및 동의어

4-Hydroxyphenylboronic acid71597-85-8(4-HYDROXYPHENYL)BORONIC ACIDDTXSID00370250RefChem:524064DTXCID40321286615-307-04-Hydroxybenzeneboronic Acid4-HydroxyphenylboronicacidMFCD01074628(P-HYDROXYPHENYL)BORONIC ACIDSCHEMBL8912

이름 더 보기

ACF2AKOS BRN-0188RARECHEM AH PB 02224-Hydroxybenzeneboronic4-DIHYDROXYBORANYL-PHENOL4-Hydroxyphenylboronicaci

4-hydroxy phenyl boronic acid(4-hydroxyphenyl) boronic acid(4-hydroxyphenyl)-boronic acidCHEMBL3218996AKOS000285078Z3360800064-BoronophenolBoronic acid, (4-hydroxyphenyl)-

데이터베이스 식별자

CAS: 71597-85-8
PubChem CID: 2734360
DTXSID: DTXSID00370250
ChEMBL: CHEMBL3218996
UNII: U8AX2ASL53
EC Number: 615-307-0
Nikkaji: J1.751.106H

물성

구조 계산 물성

극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 99.2

물리화학적 성질

녹는점: 230 °C · >230 °C (lit.)
끓는 점: 351.4 · 351.4±44.0 °C(Predicted)
밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: soluble in Acetonitrile, DMSO, Methanol
물리적 상태: 가루
산도 계수 (pKa): 9.09 · 9.09±0.10(Predicted)
색상: 황백색부터 연한 갈색까지
수용성: 25 g/L · 25g/L
BRN: 2963491 · 2963491
InChI: InChI=1S/C6H7BO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H
InChIKey: COIQUVGFTILYGA-UHFFFAOYSA-N
SMILES: B(C1=CC=C(O)C=C1)(O)O

화학적 성질

off-white to light brown powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (96.2%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (96.2%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 2931 90 00
risk_code: 36/37/38-34
hazard_code: Xi,C
safety_code: 26-36-37/39-45-36/37/39-27
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-Hydroxyphenylboronic acid can be used as a reactant in:Suzuki-Miyaura coupling and Stille coupling reactions.Palladium-catalyzed aminocarbonylation and cross-coupling reactions. Suzuki reaction for preparation of bio-supported palladium nanoparticles as phosphine-free catalysts. Cu2O-catalyzed aerobic oxidative cross-coupling of tetrazoles. It can also be used to prepare/promote:PDK1 inhibitory activity (cancer cell growth, survival, and tumorigenesis inhibitor). Rod-like dendronized polymers containing G4 and G5 ester dendrons via macromonomer approach by living ROMP. Estrone-derived cyclopamine analogs as Sonic Hedgehog signaling inhibitors for anti-cancer chemotherapeutics. Enzymatic inhibitors for the treatment of Gram-negative bacterial infections. Oligoarenes by Suzuki-Miyaura palladium-catalyzed cross-coupling.

상·하류 제품 정보

상류 원료

하류 제품

4-히드록시페닐브롬산 피나콜에스터 Methyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylate 4,4′-dihydroxydiphenyl disulfide 4-(TERT-BUTYLDIMETHYLSILYLOXY)페닐보론산 4-Bromo-4'-hydroxybiphenyl 4'-히드록시-4-비페닐카보니트릴

공급사50 곳

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

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

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4-Hydroxyphenylboronic acid

기본 정보