(4-Aminophenyl)boronic acid hydrochloride

HCID 2734614

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 80460-73-7
표준 SMILES: Cl.Nc1ccc(B(O)O)cc1
InChIKey: QBYGJJSFMOVYOA-UHFFFAOYSA-N
분자식: C6H9BClNO2
평균 분자량: 173.41 g/mol
단동위원소 질량: 173.04148661

이름 및 식별자

우선 이름: (4-Aminophenyl)boronic acid hydrochloride
IUPAC: (4-aminophenyl)boronic acid;hydrochloride
영어명: 4-AMINOPHENYLBORONIC ACID HYDROCHLORIDE
분자식: C6H9BClNO2
분자량: 173.4

이름 및 동의어

(4-aminophenyl)boronic Acid HydrochlorideRefChem:402413623-030-180460-73-74-Aminophenylboronic acid hydrochloride4-Aminobenzeneboronic acid hydrochlorideMFCD03001333(4-aminophenyl)boronic acid;hydrochloride4-AMINOPHENYLBORONIC ACID HCL(4-aminophenyl)boronicAcidHydrochlorideAC-69794-aminophenyl-boronic acid hydrochloride

이름 더 보기

Aminophenylboronic acid(4-boronophenyl)azanium4-aminophenylboric acid4-AminophenylboronicacidCHl4-Boronoaniline hydrochloride4-AMINOBENZENEBORONIC ACID, HCL4-Aminophenylboronic acid salt,B-(4-Aminophenyl)boronic acid HCl4-Aminophenylboronic acid HCl Salt

SY017592SC-521504-Aminophenylboronic acid, HClBoronic acid, (4-aminophenyl)-, hydrochlorideSCHEMBL409374-borono-benzenaminium chlorideDTXSID80370394RB3072

데이터베이스 식별자

CAS: 80460-73-7
PubChem CID: 2734614
DTXSID: DTXSID80370394
EC Number: 623-030-1

물성

구조 계산 물성

극성 표면적: 66.5 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 102

물리화학적 성질

녹는점: 141 · 141-143°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 페일베이지
안정성: 흡습성
InChI: InChI=1S/C6H8BNO2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,9-10H,8H2;1H
InChIKey: QBYGJJSFMOVYOA-UHFFFAOYSA-N
SMILES: B(C1C=CC(N)=CC=1)(O)O.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (87%)

안전 데이터

wgk: 1
HS 번호: 29319090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-60-44-20/21
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도4-Aminophenylboronic acid hydrochloride can be used to prepare:The modified reduced graphene composite material used as a sugar sensor to detect the analyte in fruit juice.The modified carbon electrode adsorbed with aminophenol, used for the detection of NADH and H2O2.The boron, nitrogen, and sulfur-doped carbon dot sensor, which in turn can be used for the detection of ascorbic acid.

일반 설명May contain varying amounts of anhydride