6-Methylquinoxaline

HCID 242567CAS 6344-72-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc2nccnc2c1
InChIKey: OSRARURJYPOUOV-UHFFFAOYSA-N
분자식: C9H8N2
평균 분자량: 144.17 g/mol
단동위원소 질량: 144.06874826

개요

6-Methylquinoxaline is a quinoxaline derivative.

이름 및 식별자

우선 이름: 6-Methylquinoxaline
IUPAC: 6-methylquinoxaline
영어명: 6-Methylquinoxaline
분자식: C9H8N2
분자량: 144.17

이름 및 동의어

6-MethylquinoxalineQuinoxaline, 6-methyl-DTXSID00287490RefChem:105059DTXCID90238638InChI=1/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1HOSRARURJYPOUOV-UHFFFAOYSA-N6344-72-5MFCD000410016-methyl-quinoxalineNSC51327NSC-51327

이름 더 보기

6-METHYLQUINOXALINE 99%6-Methylquinoxaline , 97+%

SCHEMBL27449AKOS005206833NCGC00184266-02NCGC00184266-03CS-0019265BB3L9MN4UQA15720SCHEMBL27448

데이터베이스 식별자

CAS: 6344-72-5
PubChem CID: 242567
DTXSID: DTXSID00287490
ChEMBL: CHEMBL1885120
ChEBI: CHEBI:194888
UNII: BB3L9MN4UQ
EC Number: 670-336-6
Nikkaji: J101.319J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 218.5 °C · 218.5°C
끓는 점: 244 · 244-245°C
밀도: 1.1164 · 1.1164
굴절률: 1.619 · 1.6190
인화점: 244 · 244-245°C
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 1.4 · 1.40±0.30(Predicted)
BRN: 113371 · 113371
InChI: InChI=1S/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H3
InChIKey: OSRARURJYPOUOV-UHFFFAOYSA-N
SMILES: N1C2C(=CC(C)=CC=2)N=CC=1
LogP: 1.872 · 1.872 (est)
NIST: 6 · Quinoxaline, 6-methyl-(6344-72-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Quinoxaline, 6-methyl-

Quinoxaline, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

안전 데이터

HS 번호: 2933998090
risk_code: 22-36/37/38-34-11
hazard_code: Xn,Xi,C,F
safety_code: 23-26-36/37/39-45-16
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도6-Methylquinoxaline (CAS# 6344-72-5) can be used as a conductive roller for electrophotographic apparatus. It has also be known for its sequential synthesis, olfactory properties, and biological activity.