CAS 1082065-98-2 1-(2-hydroxyethyl)-1H-pyrazole-4-carbaldehyde (HCID 24702608)

기본 정보

CAS: 1082065-98-2
표준 SMILES: O=Cc1cnn(CCO)c1
InChIKey: VFYTYIOYCWGXQW-UHFFFAOYSA-N
분자식: C6H8N2O2
평균 분자량: 140.14 g/mol
단동위원소 질량: 140.0585775

이름 및 식별자

우선 이름: 1-(2-hydroxyethyl)-1H-pyrazole-4-carbaldehyde
IUPAC: 1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
현지명: 1-(2-하이드록시에틸)-1H-피라졸-4-카브알데하이드
영어명: 1-(2-hydroxyethyl)-1H-pyrazole-4-carbaldehyde
분자식: C6H8N2O2
분자량: 140.14

이름 및 동의어

1-(2-Hydroxyethyl)-1H-pyrazole-4-carbaldehyde1082065-98-2DTXSID90640878RefChem:223549DTXCID40591629847-702-01-(2-hydroxyethyl)pyrazole-4-carbaldehydeMFCD099417891-(2-hydroxyethyl)-1h-pyrazol-4-carbaldehydeSCHEMBL122032VFYTYIOYCWGXQW-UHFFFAOYSA-NAKOS000183033

이름 더 보기

1-(2-하이드록시에틸)-1H-피라졸-4-카브알데하이드1H-Pyrazole-4-carboxaldehyde, 1-(2-hydroxyethyl)-1-(2-Hydroxyethyl)-1H-pyrazole-4-carbaldehyde - [H92763]

AT13593AS-92992SY526771DB-102547CS-04408791-(2-Hydroxy-ethyl)-1H-pyrazole-4-carbaldehydeEN300-1263762F093536

데이터베이스 식별자

CAS: 1082065-98-2
PubChem CID: 24702608
DTXSID: DTXSID90640878
EC Number: 847-702-0

물성

구조 계산 물성

XLogP: -1.1
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 118

물리화학적 성질

끓는 점: 319.2 · 319.2±22.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 14.35 · 14.35±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.