(3-hydroxyphenyl)boronic Acid

HCID 2734359CAS 87199-18-6

기본 정보

표준 SMILES: OB(O)c1cccc(O)c1
InChIKey: WFWQWTPAPNEOFE-UHFFFAOYSA-N
분자식: C6H7BO3
평균 분자량: 137.93 g/mol
단동위원소 질량: 138.04882448

이름 및 식별자

우선 이름: (3-hydroxyphenyl)boronic Acid
IUPAC: (3-hydroxyphenyl)boronic acid
영어명: 3-Hydroxyphenylboronic acid
분자식: C6H7BO3
분자량: 137.93

이름 및 동의어

87199-18-6(3-hydroxyphenyl)boronic AcidWFWQWTPAPNEOFE-UHFFFAOYSA-RefChem:400283677-211-5InChI=1/C6H7BO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8-10H3-Hydroxyphenylboronic acid3-Hydroxybenzeneboronic acidMFCD01074603(3-hydroxyphenyl)boronicAcid3-hydroxy-phenylboronic acid3-hydroxyphenyl boronic acid

이름 더 보기

AKOS BRN-01823-boronophenolRARECHEM AH PB 02213-Hydroxyphenylboron3-Hydroxyphenylboronic3-hydroxyphenylboric acidN-fluorodiphenylsulfonamideM-HYDROXYPHENYLBORONIC ACID

3-hydroxyphenyl-boronic acid3-hydroxy phenyl boronic acid(3-hydroxyphenyl) boronic acidCHEMBL2146990M-HYDROXYBENZENEBORONIC ACIDCS-W002734H1185EN300-119261

데이터베이스 식별자

CAS: 87199-18-6
PubChem CID: 2734359
DTXSID: DTXSID90370249
ChEMBL: CHEMBL2146990
EC Number: 677-211-5
Nikkaji: J1.927.227C

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: 107

물리화학적 성질

녹는점: 210 · 210-213 °C (dec.) (lit.)
끓는 점: 370 · 370.0±44.0 °C(Predicted)
밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 결정질 분말, 결정 및/또는 덩어리
산도 계수 (pKa): 1 · pK1:8.55;pK2:10.84 (25°C)
색상: 핑크색에서 회색, 황갈색까지
BRN: 3240771 · 3240771
InChI: InChI=1S/C6H7BO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8-10H
InChIKey: WFWQWTPAPNEOFE-UHFFFAOYSA-N
SMILES: B(C1=CC=CC(O)=C1)(O)O

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (6 of 18) of reports.

Warning

H315 (61.1%): 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 18 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (61.1%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38-22
hazard_code: Xi
safety_code: 37/39-26-36/37/39
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도3-Hydroxyphenylboronic acid (3-HPBA) can be used as a reagent: In Suzuki-Miyaura coupling reactions with aryl halides for the formation of C-C bond in the presence of Pd catalyst.To synthesize boron/nitrogen-doped polymer nano/microspheres by hydrothermal polymerization with formaldehyde and ammonia. To prepare carbon quantum dots based on 3-HPBA as selective fructose sensor. In the development of modified electrodes for electrochemical biosensors.