5-메틸피라진-2-카브알데하이드

5-Methylpyrazine-2-carboxaldehyde

HCID 13624977

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 50866-30-3
표준 SMILES: Cc1cnc(C=O)cn1
InChIKey: JUPFEWGPEBACJP-UHFFFAOYSA-N
분자식: C6H6N2O
평균 분자량: 122.12 g/mol
단동위원소 질량: 122.04801281

이름 및 식별자

우선 이름: 5-Methylpyrazine-2-carboxaldehyde
IUPAC: 5-methylpyrazine-2-carbaldehyde
현지명: 5-메틸피라진-2-카브알데하이드
영어명: 5-methylpyrazine-2-carbaldehyde
분자식: C6H6N2O
분자량: 122.12

이름 및 동의어

5-Methylpyrazine-2-carboxaldehydeRefChem:537311695-971-65-METHYLPYRAZINE-2-CARBALDEHYDE50866-30-35-Methyl-pyrazine-2-carbaldehydeMFCD106977925-METHYL-2-PYRAZINECARBALDEHYDE5-methyl-2-formylpyrazineSCHEMBL1206325AKOS012321434CS-W006037

이름 더 보기

5-메틸피라진-2-카브알데하이드5-methylpyrazinaldehyde2-Formyl-5-methylpyrazine5-Methylpyrazin-2-carboxaldehyde5-Methyl-2-pyrazinecarboxaldehyde2-Formyl-5-methylpyrazine, 2-Formyl-5-methyl-1,4-diazine

PB238182-PYRAZINECARBOXALDEHYDE, 5-METHYL-EN300-101690Pyrazinecarboxaldehyde, 5-methyl-AMY15960A75355-methylpyrazine-2-aldehydeSCHEMBL5684095

데이터베이스 식별자

CAS: 50866-30-3
PubChem CID: 13624977
DTXSID: DTXSID60545285
EC Number: 695-971-6

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 42.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 10 · 10-15℃
끓는 점: 273 ℃ · 273℃
밀도: 1.176 · 1.176
인화점: 79 ℃ · 79℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 저융점 고체
산도 계수 (pKa): 0.54 · 0.54±0.10(Predicted)
색상: 밝은 오렌지색
InChI: InChI=1S/C6H6N2O/c1-5-2-8-6(4-9)3-7-5/h2-4H,1H3
InChIKey: JUPFEWGPEBACJP-UHFFFAOYSA-N
SMILES: C1(C=O)=NC=C(C)N=C1

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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.