3-Pyridinecarboxaldehyde (HCID 10371)

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 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 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)
산도 계수 (pKa): 3.43 · 3.43±0.10(Predicted)
Specific Gravity: 1.145 · 1.145 (20/4℃)
색상: 투명한 갈색-노란색
수소이온지수(pH): 5.4 · 5.4 (111g/l, H2O, 20℃)
수용성: 혼용 가능
BRN: 105343 · 105343
Henry's Law Constant: 6.5 · 6.5×101 mol/(m3Pa) at 25℃, Abraham et al. (1994)
화장품 원료 기능: 항균
InChI: 1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H
InChIKey: QJZUKDFHGGYHMC-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cccnc1
LogP: 0.29 · 0.290
NIST: 3 · 3-Pyridinecarboxaldehyde(500-22-1)
EPA: 3 · 3-Pyridinecarboxaldehyde (500-22-1)

화학적 성질

clear yellow to light brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 2건

Chemical: 3-Pyridinecarboxaldehyde

3-Pyridinecarbaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

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
독성: LD50 orally in Rabbit: 2355 mg/kg
HS 번호: 29333999
risk_code: 10-37/38-42/43-41-34-43-22-36/37/38
hazard_code: Xi,C,Xn
safety_code: 26-39-45-36/37/39-23
포장분류: III
위험 등급: 3.2
F 고인화성물질: 8-10-23
위험 참고 사항: Irritant/Keep Cold/Air Sensitive
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Flam. Liq. 3Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information3-Pyridinecarboxaldehyde: ACTIVE

응용 분야 · 2건

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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

山东玖玥生物科技有限公司18853316981

추가 설명

정의ChEBI: A pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3.

연결된 노트

불러오는 중…

3-알데히드피리딘

기본 정보

개요