2-피리딘카르복스알데하이드

2-Pyridinecarboxaldehyde

HCID 14273CAS 1121-60-4

기본 정보

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 Å²
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: -21 · -21--22°C
끓는 점: 181 °C · 181 °C(lit.)
밀도: 1.126 g/mL · 1.126 g/mL at 25 °C(lit.)
증기압: 73 Pa · 73Pa at 20℃
굴절률: 20 · n20/D 1.536(lit.)
인화점: 130 °F · 130 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체(강한 색)
산도 계수 (pKa): 3.8 · 3.8(at 20℃)
색상: 투명한 노란색에서 황갈색까지
수소이온지수(pH): 6.5 · 6.5 (111g/l, H2O, 20℃)
수용성: 혼용 가능
BRN: 105341 · 105341
InChI: 1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
InChIKey: CSDSSGBPEUDDEE-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccccn1
LogP: 0.714 at · 0.714 at 20.5℃
NIST: 2 · 2-Pyridinecarboxaldehyde(1121-60-4)
EPA: 2 · 2-Pyridinecarboxaldehyde (1121-60-4)

화학적 성질

Yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 3건

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 · 1건

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

wgk: 3
tsca: TSCA listed
ridadr: UN 1989 3/PG 3
HS 번호: 29333999
risk_code: 10-22-36/37/38-51/53-46-43-34-23-52
hazard_code: Xn,Xi,N,T,F
safety_code: 7-26-36-61-53-45-36/37/39-29-16-36/37
포장분류: III
위험 등급: 6.1
기존화학 물질: KE-29934
F 고인화성물질: 8-10-23
위험 참고 사항: Irritant/Keep Cold/Air Sensitive
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing Information2-Pyridinecarboxaldehyde: ACTIVE

응용 분야 · 1건

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.

공급사1 곳

上海相辉医药科技有限公司13611835272 13611835272 · [email protected]

추가 설명

정의ChEBI: 2-Pyridinecarboxaldehyde is a pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.

연결된 노트

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