CAS 380430-55-7 2-Amino-4-(methoxycarbonyl)benzeneboronic acid hydrochloride (HCID 16427083)

기본 정보

CAS: 380430-55-7
표준 SMILES: COC(=O)c1ccc(B(O)O)c(N)c1.Cl
InChIKey: IDUSDMZTKZZVAW-UHFFFAOYSA-N
분자식: C8H11BClNO4
평균 분자량: 231.44 g/mol
단동위원소 질량: 231.0469657

이름 및 식별자

우선 이름: 2-Amino-4-(methoxycarbonyl)benzeneboronic acid hydrochloride
IUPAC: (2-amino-4-methoxycarbonylphenyl)boronic acid;hydrochloride
현지명: (2-아미노-4-메톡시카르보닐페닐)붕산염화물
영어명: (2-Amino-4-methoxycarbonylphenyl)boronic acid hydrochloride
분자식: C8H11BClNO4
분자량: 231.44

이름 및 동의어

2-AMINO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID HYDROCHLORIDERefChem:464208640-588-1380430-55-7(2-Amino-4-(methoxycarbonyl)phenyl)boronic acid hydrochloride2-amino-4-(methoxycarbonyl)phenylboronic acid hydrochlorideMFCD022589412-Amino-4-methoxycarbonylphenylboronic acid hydrochloride(2-AMINO-4-METHOXYCARBONYLPHENYL)BORONIC ACID HYDROCHLORIDE(2-amino-4-methoxycarbonylphenyl)boronic acid;hydrochloride2-Amino-4-methoxycarbonylphenylboronic acid HClBenzoicacid, 3-amino-4-borono-, 1-methyl ester, hydrochloride (1:1)

이름 더 보기

(2-아미노-4-메톡시카르보닐페닐)붕산염화물104536boronicacidhydrochL2-Amino-4-methoxycarbonyLMETHYL 3-AMINO-4-BORONOBENZOATE, HCL(2-Amino-4-methoxycarbonyl)boronic aci2-AMino-4-Methoxycarbonylphenylboronic.HCl2-AMINO-4-METHOXYCARBONYLPHENYLBORONIC ACID HCI2-Borono-5-(methoxycarbonyl)aniline hydrochloride2-AMINO-(4-METHOXYCARBONYL)BENZENEBORONIC ACID HCL(2-AMINO-4-METHOXYCARBONYLPHENYL)BORONIC ACID, HCL

GS-5648SY1025342-Amino-4-methoxycarbonylphenylboronic acid, HCl2-amino-4-methoxycarbonylphenylboronic acid hydrochloride salt2-amino-4-methoxycarbonylphenyl-boronic acid hydrochloride salt[2-amino-4-(methoxycarbonyl)phenyl]boronic acid hydrochloride(2-borono-5-methoxycarbonylphenyl)azanium;chlorideFT-0602771

데이터베이스 식별자

CAS: 380430-55-7
PubChem CID: 16427083
DTXSID: DTXSID10586007
EC Number: 640-588-1

물성

구조 계산 물성

극성 표면적: 92.8 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 212

물리화학적 성질

녹는점: 200 · 200-204°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 가루
색상: 회백색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.