1,5-디메틸-1H-피라졸-4-카발데하이드

1,5-dimethyl-1H-pyrazole-4-carbaldehyde

HCID 579643

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25711-30-2
표준 SMILES: Cc1c(C=O)cnn1C
InChIKey: SGNRGSSHBKKIJR-UHFFFAOYSA-N
분자식: C6H8N2O
평균 분자량: 124.14 g/mol
단동위원소 질량: 124.06366288

이름 및 식별자

우선 이름: 1,5-dimethyl-1H-pyrazole-4-carbaldehyde
IUPAC: 1,5-dimethylpyrazole-4-carbaldehyde
현지명: 1,5-디메틸-1H-피라졸-4-카발데하이드
영어명: 1,5-Dimethyl-1H-pyrazole-4-carbaldehyde
분자식: C6H8N2O
분자량: 124.14

이름 및 동의어

1,5-Dimethyl-1H-pyrazole-4-carbaldehyde25711-30-2DTXSID60948590RefChem:417263DTXCID401376820673-180-71,5-dimethylpyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 1,5-dimethyl-1,5-dimethyl-1h-pyrazole-4-carboxaldehydeMFCD00159630AC-27344DS-12496

이름 더 보기

1,5-디메틸-1H-피라졸-4-카발데하이드AKOS B000392AKOS PAO-0262CHEMBRDG-BB 4300330ART-CHEM-BB B000392TIMTEC-BB SBB0000161,5-DiMethyl-4-forMylpyrazole1,5-dimethyl-4-pyrazolecarboxaldehyde1,5-Dimethylpyrazole-4-carboxaldehyde,5-Dimethyl-1H-pyrazole-4-carbaldehyde

Pyrazole-4-carboxaldehyde, 1,5-dimethyl-BCP22832BCP90000391,5-DimeFT-0676664SCHEMBL170156SCHEMBL14844745ALBB-000182

데이터베이스 식별자

CAS: 25711-30-2
PubChem CID: 579643
DTXSID: DTXSID60948590
EC Number: 673-180-7

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 60 ℃ · 60℃
끓는 점: 110 · 110-112℃ (760 Torr)
밀도: 1.11 · 1.11±0.1 g/cm3 (20 ºC 760 Torr)
인화점: 92.3 · 92.3±21.8℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 0.75 · 0.75±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.