4-Pyridinecarboxaldehyde (HCID 13389)

이름 및 식별자

우선 이름: 4-Pyridinecarboxaldehyde
IUPAC: pyridine-4-carbaldehyde
현지명: 이소니코틴알데하이드
영어명: 4-Pyridinecarboxaldehyde
분자식: C6H5NO
분자량: 107.11

이름 및 동의어

4-PyridinecarboxaldehydeIsonicotinaldehydePyridine-4-carbaldehyde4-FORMYLPYRIDINEIsonicotinic aldehyde4-Pyridinealdehydep-Pyridinealdehydep-Formylpyridine4-Pyridylaldehyde4-PyridinecarbaldehydeNSC 8953Pyridine-4-aldehyde

이름 더 보기

이소니코틴알데하이드PYRIDINE-4-CARBOXALDEHYDEISONICOTINEALDEHYDE4-pyrdine aldehydePyridine-4-aldehylde

EINECS 212-832-3AI3-33232NSC-8953EC 212-832-3pyridin-4-ylcarboxaldehydeDTXSID1061237P5775574924formylpyridine

데이터베이스 식별자

CAS: 872-85-5
PubChem CID: 13389
DTXSID: DTXSID1061237
ChEMBL: CHEMBL2251606
UNII: P577557492
EC Number: 212-832-3
Nikkaji: J28.013E

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: 76

실험 및 물리화학적 성질

Density1.137 @25 °C

Vapor Pressure0.56 [mmHg]

Physical DescriptionYellow liquid; [Alfa Aesar MSDS]

Kovats Retention Index · 2건

1025

1668

물리화학적 성질

녹는점: -4 · -4--2°C
끓는 점: 71 · 71-73 °C/10 mmHg (lit.)
밀도: 1.137 g/mL · 1.137 g/mL at 20 °C (lit.)
증기압: 0.02 hPa · 0.02 hPa (20 °C)
굴절률: 20 · n20/D 1.544(lit.)
인화점: 130 °F · 130 °F
저장 조건: 2 °C · Store at +2°C to +8°C.
용해도: 20 g/L · 20g/L
산도 계수 (pKa): 12.05 · 12.05(at 30℃)
물리적 상태: 액체 (투명)
색상: 투명한 갈색-노란색
수소이온지수(pH): 7 · 7-8 (H2O, 20℃)(saturated aqueous solution)
수용성: 20 g/L · 20g/L(20℃)
BRN: 105342 · 105342
Henry's Law Constant: 5.6 · 5.6×101 mol/(m3Pa) at 25℃, Abraham et al. (1994)
InChI: 1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H
InChIKey: BGUWFUQJCDRPTL-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccncc1
LogP: 0.12 at · 0.12 at 30℃ and pH7
NIST: 4 · 4-Pyridinecarboxaldehyde(872-85-5)
EPA: 4 · 4-Pyridinecarboxaldehyde (872-85-5)

화학적 성질

clear yellow-brown liquid. soluble in water and ether.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (22.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (85.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 12 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.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 27-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10172

Isonicotinaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; May cause skin sensitization; [Alfa Aesar MSDS] See Pyridine-2-carbaldehyde. Search for (872-85-5[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]

Hazard Classes and CategoriesSkin Corr. 1B (11.1%)；Skin Irrit. 2 (88.9%)；Skin Sens. 1 (22.2%)；Eye Irrit. 2 (85.2%)；STOT SE 3 (83.3%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

7.1 [mg/m3]

78 [mg/m3]

470 [mg/m3]

규제 정보

Regulatory Information · 2건

Status: Active Update: 27-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10172

Isonicotinaldehyde: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: NR9400000
ridadr: UN 1989
독성: LD50 orally in Rabbit: 2355 mg/kg LD50 dermal Rat > 2000 mg/kg
HS 번호: 29333999
risk_code: 36/37/38-10
hazard_code: Xi,F
safety_code: 26-36-36/37/39-16
포장분류: III
위험 등급: 3.2
F 고인화성물질: 8-10-23
위험 참고 사항: Irritant/Keep Cold/Air Sensitive
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing Information4-Pyridinecarboxaldehyde: ACTIVE

응용 분야

용도4-Pyridinecarboxaldehyde, is an heterocyclic building block used for the synthesis of various pharmaceutical compounds, such as new 1,4-dihydropyridin-4-yl-phenoxyacetohydrazones, having anticonvulsant and anti-inflammatory properties.

제조 방법

4-Pyridinecarbaldehyde is synthesized by oxidation of 4-picoline. The mixed gas of 4-picoline and air is passed through the vanadium-molybdenum catalyst layer heated to 400°C, and oxidized to generate 4-pyridinecarbaldehyde.

상·하류 제품 정보

하류 제품

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]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

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