CAS 71255-09-9 2-Methoxypyridine-3-carbaldehyde (HCID 12533391)

기본 정보

CAS: 71255-09-9
표준 SMILES: COc1ncccc1C=O
InChIKey: PIFFMIDNNWOQLK-UHFFFAOYSA-N
분자식: C7H7NO2
평균 분자량: 137.14 g/mol
단동위원소 질량: 137.04767846

이름 및 식별자

우선 이름: 2-Methoxypyridine-3-carbaldehyde
IUPAC: 2-methoxypyridine-3-carbaldehyde
영어명: 2-Methoxy-3-pyridinecarboxaldehyde
분자식: C7H7NO2
분자량: 137.14

이름 및 동의어

71255-09-92-Methoxypyridine-3-CarbaldehydeDTXSID70501579RefChem:262808DTXCID60452389628-373-02-Methoxynicotinaldehyde2-Methoxy-3-pyridinecarboxaldehyde2-Methoxy-pyridine-3-carbaldehyde2-Methoxypyridine-3-carboxaldehyde3-Pyridinecarboxaldehyde,2-methoxy-3-PYRIDINECARBOXALDEHYDE, 2-METHOXY-

이름 더 보기

2-Methoxypyridine-3-carba...2-Methoxy-3-pyridinecarboxalde2-Methoxy-3-pyridinecarbaldehyde2-Methoxy-3-pyridinecaarboxaldehyde2-Methoxy-3-pyridinecarboxaldenhyde

MFCD041151122-METHYOXYNICOTINALDEHYDE2-Methoxy-3-pyridine carboxaldehyde3-Pyridinecarboxaldehyde, 2-methoxy- (9CI)2-methoxy-3-formyl-pyridineSCHEMBL209651SCHEMBL3251284SCHEMBL29953915

데이터베이스 식별자

CAS: 71255-09-9
PubChem CID: 12533391
DTXSID: DTXSID70501579
EC Number: 628-373-0
Nikkaji: J273.986K

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 116

물리화학적 성질

끓는 점: 200 · 200-201 °C (lit.)
밀도: 1.161 g/mL · 1.161 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5500(lit.)
인화점: 205 °F · 205 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체 또는 저융점 고체
산도 계수 (pKa): 1.6 · 1.60±0.10(Predicted)
색상: 무색~황색
InChI: InChI=1S/C7H7NO2/c1-10-7-6(5-9)3-2-4-8-7/h2-5H,1H3
InChIKey: PIFFMIDNNWOQLK-UHFFFAOYSA-N
SMILES: C1(OC)=NC=CC=C1C=O

화학적 성질

Colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (13%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 41-43-36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37
위험 등급: IRRITANT
Hazard Classifications: Eye Dam. 1Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도2-Methoxy-3-pyridinecarboxaldehyde may be used to synthesize the following:ethyl 5-amino-4-(2-methoxy-3-pyridyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrano[2,3-b]quinoline-3-carboxylate, a potent AChE inhibitorN-hydroxy-2-pyridinone-based arylsulfone containing a Zn-binding group (ZBG) as MMP-2/-9 inhibitor