3-Hydroxypicolinaldehyde

HCID 2737332

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1849-55-4
표준 SMILES: O=Cc1ncccc1O
InChIKey: ICDSWZBXIZCMHR-UHFFFAOYSA-N
분자식: C6H5NO2
평균 분자량: 123.11 g/mol
단동위원소 질량: 123.0320284

이름 및 식별자

우선 이름: 3-Hydroxypicolinaldehyde
IUPAC: 3-hydroxypyridine-2-carbaldehyde
영어명: 3-Hydroxypyridine-2-carboxaldehyde
분자식: C6H5NO2
분자량: 123.11

이름 및 동의어

3-hydroxypicolinaldehyde3-hydroxy-2-pyridinecarboxaldehydeRefChem:502586674-305-83-Hydroxypyridine-2-carboxaldehyde1849-55-43-Hydroxypyridine-2-carbaldehyde2-Formyl-3-hydroxypyridineMFCD062455053-hydroxy-2-pyridine aldehydeDTXSID303719973-hydroxy-pyridine-2-carbaldehyde

이름 더 보기

IFLAB-BB F1957-00373-Hydroxy-2-pyridinecarbaldehyde3-Hydroxy-pyridin-2-carbaldehyde3-Hydroxypicolinaldehyde, 2-Formyl-3-hydroxypyridine

F1957-0037AKOS000275385CS-W004442AC-1518SY019646P103492-Pyridinecarboxaldehyde, 3-hydroxy-A4092

데이터베이스 식별자

CAS: 1849-55-4
PubChem CID: 2737332
DTXSID: DTXSID30371997
EC Number: 674-305-8
Nikkaji: J1.963.064A

물성

구조 계산 물성

XLogP: 0.8
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: 80 · 80-82°C (subl.)
끓는 점: 96 · 96-100°C/30mm
밀도: 1.327 · 1.327±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 1 · pK1:3.40(+1);pK2:6.95(OH)(20°C)
색상: 어두운 갈색
InChI: InChI=1S/C6H5NO2/c8-4-5-6(9)2-1-3-7-5/h1-4,9H
InChIKey: ICDSWZBXIZCMHR-UHFFFAOYSA-N
SMILES: C1(C=O)=NC=CC=C1O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 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.