6-Bromo-1-chloro-isoquinoline

HCID 22250244

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 205055-63-6
표준 SMILES: Clc1nccc2cc(Br)ccc12
InChIKey: VOAHGGQULSSGQW-UHFFFAOYSA-N
분자식: C9H5BrClN
평균 분자량: 242.5 g/mol
단동위원소 질량: 240.92939

이름 및 식별자

우선 이름: 6-Bromo-1-chloro-isoquinoline
IUPAC: 6-bromo-1-chloroisoquinoline
영어명: 6-Bromo-1-chloroisoquinoline
분자식: C9H5BrClN
분자량: 242.5

이름 및 동의어

6-BROMO-1-CHLORO-ISOQUINOLINERefChem:540552809-114-26-Bromo-1-chloroisoquinoline205055-63-6ISOQUINOLINE, 6-BROMO-1-CHLORO-MFCD06738661SCHEMBL15362951-Chloro-6-bromoisoquinolineDTXSID50623869AKOS015851174AB27582

이름 더 보기

SKL3226-Bromo-1-chL6-Bromo-2-chloroisoquinoline1-chloro -6-broMideisoquinoline6-Bromo-1-chloroisoquinoline ISO 9001：2015 REACH6-Bromo-1-chloroisoquinoline 1-Chloro-6-bromoisoquinoline

BCP26583SCHEMBL301113496-Bromo-1-chloroisoquinoline, 97%BBL102070STL555869AC-7723CS-W019620DS-10604

데이터베이스 식별자

CAS: 205055-63-6
PubChem CID: 22250244
DTXSID: DTXSID50623869
EC Number: 809-114-2
Nikkaji: J3.396.643A

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 165

물리화학적 성질

끓는 점: 349.5 · 349.5±22.0 °C(Predicted)
밀도: 1.673 · 1.673
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 1.48 · 1.48±0.38(Predicted)
물리적 상태: 가루
색상: 밝은 노란색에서 노란색까지
InChI: InChI=1S/C9H5BrClN/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H
InChIKey: VOAHGGQULSSGQW-UHFFFAOYSA-N
SMILES: C1(Cl)C2=C(C=C(Br)C=C2)C=CN=1

화학적 성질

Yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 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.