4-아세틸피리딘N-옥사이드

4-Acetylpyridine-N-oxide

HCID 337542CAS 2402-96-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1cc[n+]([O-])cc1
InChIKey: GUHDDRZAZNIQJB-UHFFFAOYSA-N
분자식: C7H7NO2
평균 분자량: 137.14 g/mol
단동위원소 질량: 137.04767847

이름 및 식별자

우선 이름: 4-Acetylpyridine-N-oxide
IUPAC: 1-(1-oxidopyridin-1-ium-4-yl)ethanone
현지명: 4-아세틸피리딘N-옥사이드
영어명: 4-Acetylpyridine N-oxide
분자식: C7H7NO2
분자량: 137.14

이름 및 동의어

4-acetylpyridine-N-oxideRefChem:517353Ethanone, 1-(1-oxido-4-pyridinyl)-607-306-94-Acetylpyridine 1-oxide2402-96-24-Acetylpyridine n-oxide1-(1-oxidopyridin-1-ium-4-yl)ethanoneNSC3560324-acetylpyridin-1-oxid4-acetyl-pyridine N-oxidepyridine 1-oxide, 4-acetyl-

이름 더 보기

4-아세틸피리딘N-옥사이드Tripelennamine Impurity 3Ethanone, 1-(1-oxido-4-pyridinyl)- (9CI)

SCHEMBL1015846DTXSID10320185GUHDDRZAZNIQJB-UHFFFAOYSA-NMFCD00955960AKOS006273738NSC-356032F738551-(1-Oxo-1lambda~5~-pyridin-4-yl)ethan-1-one

데이터베이스 식별자

CAS: 2402-96-2
PubChem CID: 337542
DTXSID: DTXSID10320185
EC Number: 607-306-9
Nikkaji: J703.595K

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 128

물리화학적 성질

녹는점: 132 °C · 132 °C(Solv: chloroform (67-66-3))
끓는 점: 347.3 · 347.3±15.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
산도 계수 (pKa): -0.72 · -0.72±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (22 of 22) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 22 of 22 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 22 of 22 reports by companies.；There are 0 notifications provided by 0 of 22 reports by companies with hazard statement code(s).；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.