(2-아미노페닐)보론산염산염

2-Aminophenylboronic acid hydrochloride

HCID 16427090CAS 863753-30-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cl.Nc1ccccc1B(O)O
InChIKey: WPDASZCYRKGSTO-UHFFFAOYSA-N
분자식: C6H9BClNO2
평균 분자량: 173.41 g/mol
단동위원소 질량: 173.0414864

이름 및 식별자

우선 이름: 2-Aminophenylboronic acid hydrochloride
IUPAC: (2-aminophenyl)boronic acid;hydrochloride
현지명: (2-아미노페닐)보론산염산염
영어명: (2-Aminophenyl)boronic acid hydrochloride
분자식: C6H9BClNO2
분자량: 173.4

이름 및 동의어

2-Aminophenylboronic acid hydrochlorideRefChem:465185687-335-1863753-30-4(2-Aminophenyl)boronic acid hydrochloride2-Aminophenylboronic acid, hydrochlorideMFCD02258096(2-aminophenyl)boronic acid;hydrochlorideBoronic acid, (2-aminophenyl)-, hydrochlorideDTXSID605860122-Aminophenylboronicacidhydrochloride(2-Aminophenyl)boronicacidhydrochloride

이름 더 보기

(2-아미노페닐)보론산염산염2-(dihydroxyboranyl)anilinium chloride2-(2-AMinophenyl)boronic acid hydrochloride2-Aminophenylboronic acid hydrochloride, 97%,(2-Aminophenyl)boronic acid hydrochloride (1:1)Boronic acid,B-(2-aminophenyl)-, hydrochloride (1:1)

2-Aminophenylboronic acid HClAC-6978(2-boronophenyl)azanium;chloride(2-Aminophenyl)boronicSCHEMBL7310242-Amino Phenylboronic Acid HClSCHEMBL29955380(2-boronophenyl)ammonium;chloride

데이터베이스 식별자

CAS: 863753-30-4
PubChem CID: 16427090
DTXSID: DTXSID60586012
EC Number: 687-335-1

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: 110

물리화학적 성질

녹는점: 115 · 115-118°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: 1S/C6H8BNO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,9-10H,8H2;1H
InChIKey: WPDASZCYRKGSTO-UHFFFAOYSA-N
SMILES: Cl.Nc1ccccc1B(O)O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.5%): 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 40 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

안전 데이터

wgk: 3
HS 번호: 2931900090
risk_code: 22
hazard_code: Xn
safety_code: 22-24/25
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Reactant for:Preparation of small molecules with a trihydroxybenzene motif as pan-selectin antagonists and potential antiinflammatory agentsPreparation of designed boronate ligands for glucose-selective holographic sensors