(2-아미노-4-시아노)벤젠붕소산,염산염

2-Amino-4-cyanobenzeneboronic acid hydrochloride

HCID 44118766

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 850568-47-7
표준 SMILES: Cl.N#Cc1ccc(B(O)O)c(N)c1
InChIKey: XTCOKKVEUFHXBE-UHFFFAOYSA-N
분자식: C7H8BClN2O2
평균 분자량: 198.42 g/mol
단동위원소 질량: 198.03673558

이름 및 식별자

우선 이름: 2-Amino-4-cyanobenzeneboronic acid hydrochloride
IUPAC: (2-amino-4-cyanophenyl)boronic acid;hydrochloride
현지명: (2-아미노-4-시아노)벤젠붕소산,염산염
영어명: (2-Amino-4-cyano)benzeneboronic acid, hydrochloride
분자식: C7H8BClN2O2
분자량: 198.41

이름 및 동의어

2-Amino-4-cyanobenzeneboronic acid hydrochlorideRefChem:464276804-953-0850568-47-7(2-Amino-4-cyanophenyl)boronic acid hydrochloride2-amino-4-cyanophenylboronic acid hydrochlorideMFCD06659820(2-amino-4-cyanophenyl)boronic acid;hydrochloride2-Amino-4-cyanophenylboronic acid, HCl(2-AMINO-4-CYANOPHENYL)BORONIC ACID HCL(2-amino-4-cyanophenyl)boronic acid,hydrochloride(2-Amino-4-cyano)benzeneboronic acid,hydrochloride

이름 더 보기

(2-아미노-4-시아노)벤젠붕소산,염산염(2-aMino-4-cyanophenyl)boronic acidB-(2-Amino-4-cyanophenyl)boronic acid HCl2-amino-3-cyanophenylboronic acid hydrochloride2-Amino-4-cyanobenzeneboronicacidhydrochloride97%(2-Amino-4-cyano)benzeneboronic acid, hydrochloride2-Amino-4-cyanobenzeneboronic acid hydrochloride 97%B-(2-amino-4-cyanophenyl)-Boronic acid hydrochloride (1:1)Boronic acid,B-(2-aMino-4-cyanophenyl)-, hydrochloride (1:1)

SCHEMBL1010311DTXSID50656975XTCOKKVEUFHXBE-UHFFFAOYSA-NAKOS006220667AB26398PS-9441DB-093611(2-Amino-4-cyanophenyl)boronicacidhydrochloride

데이터베이스 식별자

CAS: 850568-47-7
PubChem CID: 44118766
DTXSID: DTXSID50656975
EC Number: 804-953-0

물성

구조 계산 물성

극성 표면적: 90.3 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 201

물리화학적 성질

녹는점: 214 · 214-218
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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.