3-알데히드피리딘
3-Pyridinecarboxaldehyde
기본 정보
- CAS
500-22-1- 표준 SMILES
O=Cc1cccnc1- InChIKey
QJZUKDFHGGYHMC-UHFFFAOYSA-N- 분자식
- C6H5NO
- 평균 분자량
- 107.11 g/mol
- 단동위원소 질량
- 107.03711378
개요
Pyridine-3-carbaldehyde is a pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3.
이름 및 식별자
- 우선 이름
- 3-Pyridinecarboxaldehyde
- IUPAC
- pyridine-3-carbaldehyde
- 현지명
- 3-알데히드피리딘
- 영어명
- 3-Pyridinecarboxaldehyde
- 분자식
- C6H5NO
- 분자량
- 107.11
이름 및 동의어
3-PyridinecarboxaldehydeNicotinaldehyde500-22-1Pyridine-3-carbaldehyde3-PyridinaldehydeNicotinic aldehyde3-Pyridylcarboxaldehyde3-FORMYLPYRIDINE3-PyridylaldehydeRowalind840R4IDQ1TNSC-8952
이름 더 보기
3-알데히드피리딘3-피리딘카복살데하이드3-NicotinaldehydeNicotinaldehyde 98%3-PYRIDINECARBALDEHYDE3-PYRIDINECARBOXYALDEHYDE
DTXSID2022044CHEBI:28345RefChem:95393DTXCID002044207-900-4Pyridine-3-carboxaldehydeNicotinealdehydePyridine-3-aldehyde
데이터베이스 식별자
- CAS
500-22-1- PubChem CID
- 10371
- DTXSID
DTXSID2022044- ChEMBL
CHEMBL268493- ChEBI
CHEBI:28345- UNII
- 840R4IDQ1T
- EC Number
- 207-900-4
- Nikkaji
- J28.015A
물성
구조 계산 물성
- XLogP
- 0.3
- 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 PropertiesCoriolis coupling
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP0.29
Vapor Pressure0.56 [mmHg]
Physical DescriptionPale yellow liquid; mp = 8 deg C; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 8 °C · 8°C
- 끓는 점
- 78 · 78-81 °C/10 mmHg (lit.)
- 밀도
- 1.141 g/mL · 1.141 g/mL at 20 °C (lit.)
- 증기압
- 0.3 hPa · 0.3 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.549(lit.)
- 인화점
- 140 °F · 140 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 물리적 상태
- 액체 (투명)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (61.3%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 75 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 3-Pyridinecarboxaldehyde
3-Pyridinecarbaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; May cause skin sensitization; [Alfa Aesar MSDS] Search for (500-22-1[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]
Hazard Classes and CategoriesFlam. Liq. 3 (61.3%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QS2980000
- ridadr
- UN 1989 3/PG 3
화학 및 산업
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information3-Pyridinecarboxaldehyde: ACTIVE
응용 분야
개요Pyridine-3-carbaldehyde, also known as nicotinaldehyde or 3-Pyridinecarboxaldehyde, belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group. 3-pyridinecarboxaldehyde is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Pyridine-3-carbaldehyde, an aldehyde containing a nitrogen atom, reacts faster than benzaldehyde with diethylzinc to afford enantioenriched 3-pyridyl alkanol in a reaction in which the same chiral catalyst, i.e., (1S,2R)-N, N-dibutylnorephedrine, is used.
용도3-Pyridinecarboxaldehyde is a substituted pyridine with niacin activity. 3-Pyridinecarboxaldehyde is a component of tobacco smoke.
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