2-피리딘카르복스알데하이드
2-Pyridinecarboxaldehyde
기본 정보
- CAS
1121-60-4- 표준 SMILES
O=Cc1ccccn1- InChIKey
CSDSSGBPEUDDEE-UHFFFAOYSA-N- 분자식
- C6H5NO
- 평균 분자량
- 107.11 g/mol
- 단동위원소 질량
- 107.03711378
개요
2-formylpyridine is a pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.
이름 및 식별자
- 우선 이름
- 2-Pyridinecarboxaldehyde
- IUPAC
- pyridine-2-carbaldehyde
- 현지명
- 2-피리딘카르복스알데하이드
- 영어명
- 2-Pyridinecarboxaldehyde
- 분자식
- C6H5NO
- 분자량
- 107.11
이름 및 동의어
2-PyridinecarboxaldehydePicolinaldehyde1121-60-4Pyridine-2-carbaldehyde2-FormylpyridinePyridine-2-aldehyde2-Picolinaldehyde2-Pyridaldehydeo-NicotinaldehydePicolinic aldehyde2-Picolinealdehyde2-Pyridylaldehyde
이름 더 보기
2-피리딘카르복스알데하이드2-피리딘카르복스알데히드PYRIDINE-2-CARBOXALDEHYDE2-Pyridinecarboxyaldehyde2-PAPicolinal2-PYRIDINECARBALDEHYDEPyridine-2-formaldehyde
2-Pyridylcarboxaldehydealpha-PicolinaldehydeKH86K8FHZ2NSC-8951DTXSID1061522CHEBI:73012RefChem:870728DTXCID3033276
데이터베이스 식별자
- CAS
1121-60-4、26445-06-7- PubChem CID
- 14273
- DTXSID
DTXSID1061522- ChEMBL
CHEMBL274794- ChEBI
CHEBI:73012- UNII
- KH86K8FHZ2
- EC Number
- 214-333-6
- Nikkaji
- J28.014C
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 30 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 82.6
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesSchoenflies notation
LogP0.44
Vapor Pressure0.56 [mmHg]
Physical DescriptionYellow liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 148 · 148–151 °C (298–304 °F; 421–424 K)
- 끓는 점
- 181 °C · 181 °C (358 °F; 454 K)
- 밀도
- 1.126 g/mL · 1.126 g/mL
- 증기압
- 73 Pa · 73Pa at 20℃
- 굴절률
- 1.54 · 1.54
- 인화점
- 77 °C · 77 °C
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.8 · 3.8(at 20℃)
- 물리적 상태
- clear liquid
- 색상
- Colorless to Yellow
- 수소이온지수(pH)
- 6.5 · 6.5 (111g/l, H2O, 20℃)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (17.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Pyridinecarboxaldehyde
Status: Cease Manufacture Update: 10-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25571
2-Pyridinecarbaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
An irritant that may cause serious eye injury; May cause skin sensitization; Harmful by ingestion; Toxic by inhalation; [Alfa Aesar MSDS] Search for (1121-60-4[EC/RN Number]) AND (sensitizer OR sensitization OR allergic) found no results; [PubMed) See Pyridine.
Hazard Classes and CategoriesFlam. Liq. 3 (17.1%)
독성 정보
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) = 800 mg/m3/4hr
안전 데이터
화학 및 산업
용도 및 제조
General Manufacturing Information2-Pyridinecarboxaldehyde: ACTIVE
응용 분야
용도2-Pyridinecarboxaldehyde has been used:To synthesize chitosan based bifunctionalized adsorbent.In the aldol addition reaction with pyruvate in the presence of 2-keto-3-deoxy-6-phosphogluconate aldolase (KDPG) catalyst to form (S)-4-hydroxy-2-keto-4-(2′-pyridyl)butyrate.In the condensation reaction with (S)-()-α-methylbenzylamine and (R)-(+)-α-methylbenzylamine to synthesize two chiral (S)-()- and (R)-(+)Schiff base compounds.It can also be combined with thiosemicarbazide to form 2-pyridinecarboxaldehyde thiosemicarbazone ligand (L) which can further complex with Ni(II) and Cu(II) salts (MX) to form [M(L)2X2] complexes.
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