1,3-디메틸-1H-피라졸-4-카발데하이드

1,3-dimethyl-1H-pyrazole-4-carbaldehyde

HCID 847285

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25016-12-0
표준 SMILES: Cc1nn(C)cc1C=O
InChIKey: IGJREDVLGVEPFI-UHFFFAOYSA-N
분자식: C6H8N2O
평균 분자량: 124.14 g/mol
단동위원소 질량: 124.06366288

개요

1,3-Dimethyl-1H-pyrazole-4-carbaldehyde is an arenecarbaldehyde.

이름 및 식별자

우선 이름: 1,3-dimethyl-1H-pyrazole-4-carbaldehyde
IUPAC: 1,3-dimethylpyrazole-4-carbaldehyde
현지명: 1,3-디메틸-1H-피라졸-4-카발데하이드
영어명: 1,3-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
분자식: C6H8N2O
분자량: 124.14

이름 및 동의어

1,3-Dimethyl-1H-pyrazole-4-carbaldehyde25016-12-01,3-Dimethyl-1H-pyrazole-4-carboxaldehydeDTXSID20357205RefChem:414561DTXCID90308264673-184-91,3-dimethylpyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 1,3-dimethyl-MFCD00159635SCHEMBL3080281,3-Dimethyl-4-formylpyrazole

이름 더 보기

1,3-디메틸-1H-피라졸-4-카발데하이드AKOS B000370AKOS PAO-0261ART-CHEM-BB B000370TIMTEC-BB SBB0000171,3-Dimethylpyrazole-4-carboxaldehyde3-diMethyl-1H-pyrazole-4-carbaldehyde1,3-Dimethyl-1H-pyrazol-4-carbaldehyde

IGJREDVLGVSCHEMBL2517327CHEBI:229421IGJREDVLGVEPFI-UHFFFAOYSA-NALBB-000183SBB000017STK251872AKOS000164345

데이터베이스 식별자

CAS: 25016-12-0
PubChem CID: 847285
DTXSID: DTXSID20357205
ChEBI: CHEBI:229421
EC Number: 673-184-9
Nikkaji: J2.690.028J

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: 50 ℃ · 50℃
끓는 점: 98 · 98-100℃ (760 Torr)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C6H8N2O/c1-5-6(4-9)3-8(2)7-5/h3-4H,1-2H3
InChIKey: IGJREDVLGVEPFI-UHFFFAOYSA-N
SMILES: N1(C)C=C(C=O)C(C)=N1

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.