7-브로모-2-클로로퀴녹살린

7-Bromo-2-chloroquinoxaline

HCID 4913253CAS 89891-65-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Clc1cnc2ccc(Br)cc2n1
InChIKey: AZUMKBQKUXTHCM-UHFFFAOYSA-N
분자식: C8H4BrClN2
평균 분자량: 243.49 g/mol
단동위원소 질량: 241.92464

이름 및 식별자

우선 이름: 7-Bromo-2-chloroquinoxaline
IUPAC: 7-bromo-2-chloroquinoxaline
현지명: 7-브로모-2-클로로퀴녹살린
영어명: 7-Bromo-2-chloroquinoxaline
분자식: C8H4BrClN2
분자량: 243.49

이름 및 동의어

7-bromo-2-chloroquinoxaline89891-65-6DTXSID00406760RefChem:310391DTXCID50357612853-902-9MFCD029553097-bromo-2-chloro-quinoxalineQUINOXALINE, 7-BROMO-2-CHLORO-2-chloro-7-bromo-quinoxalineSCHEMBL361089SCHEMBL30120440

이름 더 보기

7-브로모-2-클로로퀴녹살린3-chloro-6-bromoquinoxaline

AZUMKBQKUXTHCM-UHFFFAOYSA-NSBB014165STK785174AKOS005620591AB12778CS-W019688GS-4133SY018860

데이터베이스 식별자

CAS: 89891-65-6
PubChem CID: 4913253
DTXSID: DTXSID00406760
EC Number: 853-902-9

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 167

물리화학적 성질

끓는 점: 312.5 · 312.5±37.0 °C(Predicted)
밀도: 1.762 · 1.762
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -2.5 · -2.50±0.30(Predicted)
InChI: InChI=1S/C8H4BrClN2/c9-5-1-2-6-7(3-5)12-8(10)4-11-6/h1-4H
InChIKey: AZUMKBQKUXTHCM-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(Br)C=2)N=CC=1Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.