5-Methyl-1-pyridin-2-yl-1H-pyrazole-4-carbaldehyde

HCID 21097352CAS 1082065-93-7

기본 정보

표준 SMILES: Cc1c(C=O)cnn1-c1ccccn1
InChIKey: SZVYIBYKEXGYRW-UHFFFAOYSA-N
분자식: C10H9N3O
평균 분자량: 187.2 g/mol

이름 및 식별자

우선 이름: 5-Methyl-1-pyridin-2-yl-1H-pyrazole-4-carbaldehyde
IUPAC: 5-methyl-1-pyridin-2-ylpyrazole-4-carbaldehyde
영어명: 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-(2-pyridinyl)-
분자식: C10H9N3O
분자량: 187.2

이름 및 동의어

1082065-93-75-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde5-Methyl-1-pyridin-2-yl-1H-pyrazole-4-carbaldehydeSCHEMBL122430SCHEMBL31596129SZVYIBYKEXGYRW-UHFFFAOYSA-N1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-(2-pyridinyl)-

데이터베이스 식별자

CAS: 1082065-93-7
PubChem CID: 21097352
EC Number: 173-441-0

물성

구조 계산 물성

XLogP: 1
극성 표면적: 47.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 210

물리화학적 성질

끓는 점: 354.525 · 354.525±27.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.222 · 1.222±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 2.473 · 2.473±0.10(predicted)

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.