페닐붕산

Phenylboronic Acid

HCID 66827CAS 98-80-6

기본 정보

표준 SMILES
OB(O)c1ccccc1
InChIKey
HXITXNWTGFUOAU-UHFFFAOYSA-N
분자식
C6H7BO2
평균 분자량
121.93 g/mol
단동위원소 질량
122.0539096

이름 및 식별자

우선 이름
Phenylboronic Acid
IUPAC
phenylboronic acid
현지명
페닐붕산
영어명
Phenylboronic acid
분자식
C6H7BO2
분자량
121.93

이름 및 동의어

Phenylboronic acid98-80-6Benzeneboronic acidBoronic acid, phenyl-DihydroxyphenylboranePhenyldihydroxyboraneBorophenylic acidPHENYL BORONIC ACIDDihydroxy(phenyl)boraneAcide phenylboriqueKyselina fenylboritaPhenylboron dihydroxide
이름 더 보기
페닐붕산PhB(OH)2PHENYLBORIC ACIDphenyboronicCAS:98-80-6phenyl-boronicaciPhenylboranic acidPhenylboronic Acid (contains varying amounts of Anhydride)
L12H7B02G5NSC-66487DTXSID9059179CHEBI:44923RefChem:562986DTXCID6049062202-701-9phenylboronate

데이터베이스 식별자

CAS
98-80-6
PubChem CID
66827
DTXSID
DTXSID9059179
ChEMBL
CHEMBL21485
ChEBI
CHEBI:44923
UNII
L12H7B02G5
EC Number
202-701-9
Nikkaji
J119.652I

물성

구조 계산 물성

극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

Boiling Point219 °C @760 [mm Hg]
Vapor Pressure0.00000856 [mmHg]
Physical DescriptionSolid; [Merck Index] White to off-white hygroscopic solid; [Acros Organics MSDS]

물리화학적 성질

녹는점
216 · 216-219 °C(lit.)
끓는 점
265.9 · 265.9±23.0 °C(Predicted)
밀도
1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
결정성 분말

화학적 성질

white to light yellow crystal powder. Insoluble in water and benzene, easily soluble in ether and methanol. When exposed to air or under heating conditions, it is easy to dehydrate and form a three-molecular polymer.

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 208 reports by companies from 17 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: Boronic acid, phenyl-

Benzeneboronic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySpontaneously converts to benzene boronic anhydride (C6-H5-B-O) in dry air; [Merck Index] An irritant; Harmful by ingestion; [Acros Organics MSDS] See Boron.
Hazard Classes and CategoriesAcute Tox. 4 (96.6%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

2.2 [mg/m3]

24 [mg/m3]

150 [mg/m3]

규제 정보

Regulatory Information · 2건

Chemical: Boronic acid, phenyl-

Benzeneboronic acid: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
CY8575000
독성
LD50 orl-rat: 740 mg/kg 14KTAK -,693,64
HS 번호
29310095
risk_code
22-36/37/38-20/21/22

화학 및 산업

용도 및 제조

General Manufacturing InformationBoronic acid, B-phenyl-: ACTIVE
응용 분야 · 3건

용도이 제품은 백색 분말이며 의약 중간체로 사용됩니다.페닐 붕산 및 유도체 계열 제품은 신약 합성의 중요한 중간체로서 주로 사용됩니다.

용도Phenylboronic Acid is a compound used in organic synthesis of various pharmaceutical goods. Phenylboronic acid (PBA) and its derivatives can bind sugars and other diol compounds to form cyclic boronate esters. These esters bear negative charges. Due to this reaction, sugars can be detected by means of electrochemical and optical techniques. PBA modified electrodes have been constructed as reagentless electrochemical sensors. There, PBA is absorbed on the electrode surface either as a self- assembled monolayer film ore a polymer thin film. Basically, for optical detection techniques for the detection of sugars, PBA is modified with a chromophore that should change its properties on reaction with a sugar. Reaction of Phenylboronic acid with a sugar

일반 설명Phenylboronic acid (PBA) is an organoboronic acid. It behaves as a molecular receptor that can attach to compounds containing cis-diol group. Microwave-assisted Suzuki coupling of aryl chlorides with phenylboronic acid in the presence of Pd/C (catalyst) and water (solvent) has been described. Palladium-catalyzed cross-coupling reaction of phenylboronicacid with haloarenes to afford biaryls has been reported.

공급사50 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]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]

추가 설명

정의ChEBI: Phenylboronic acid is a member of boronic acids. It is functionally related to a boronic acid.

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