5-Hydroxy-2-pyridinecarboxaldehyde

HCID 278389CAS 31191-08-9

기본 정보

표준 SMILES: O=Cc1ccc(O)cn1
InChIKey: HSODMUBHOXGNNQ-UHFFFAOYSA-N
분자식: C6H5NO2
평균 분자량: 123.11 g/mol
단동위원소 질량: 123.0320284

이름 및 식별자

우선 이름: 5-Hydroxy-2-pyridinecarboxaldehyde
IUPAC: 5-hydroxypyridine-2-carbaldehyde
영어명: 5-hydroxypyridine-2-carbaldehyde
분자식: C6H5NO2
분자량: 123.11

이름 및 동의어

5-HYDROXY-2-PYRIDINECARBOXALDEHYDERefChem:536195826-139-45-hydroxypicolinaldehyde31191-08-95-hydroxypyridine-2-carbaldehyde5-Hydroxypyridine-2-carboxaldehydeMFCD106975385-hydroxy-2-formylpyridine2-Formyl-5-hydroxypyridine2-Pyridinecarboxaldehyde, 5-hydroxy-5-hydroxypyridin-2-carboxaldehyde

이름 더 보기

NSC 129151NSC 1279483-fluoropropanoic5-HYDROXYPYRIDINE-2-CARBAL

5-Hydroxy-pyridine-2-carbaldehydeNSC127948Picolinaldehyde, dimer5-HYDROXY-2-PYRIDINECARBALDEHYDE6-Formyl-3-pyridinol2-formyl-5-hydroxy pyridineSCHEMBL179115SCHEMBL941512

데이터베이스 식별자

CAS: 31191-08-9
PubChem CID: 278389
DTXSID: DTXSID50299068
EC Number: 826-139-4
Nikkaji: J3.027.895J

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 223 · 223-225 °C (decomp)
끓는 점: 363.5 · 363.5±22.0 °C(Predicted)
밀도: 1.327 · 1.327±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 3.17 · 3.17±0.18(Predicted)
물리적 상태: 고체
색상: 밝은 갈색에서 갈색까지

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.