CAS 82257-15-6 3-Formyl-4-methoxypyridine (HCID 11332503)

기본 정보

CAS: 82257-15-6
표준 SMILES: COc1ccncc1C=O
InChIKey: QWUFIMUCFQUBOT-UHFFFAOYSA-N
분자식: C7H7NO2
평균 분자량: 137.14 g/mol
단동위원소 질량: 137.04767846

이름 및 식별자

우선 이름: 3-Formyl-4-methoxypyridine
IUPAC: 4-methoxypyridine-3-carbaldehyde
영어명: 4-Methoxy-3-pyridinecarboxaldehyde
분자식: C7H7NO2
분자량: 137.14

이름 및 동의어

3-Formyl-4-methoxypyridineRefChem:502059636-011-882257-15-64-methoxynicotinaldehyde4-Methoxypyridine-3-carboxaldehyde4-methoxypyridine-3-carbaldehyde4-Methoxy-3-pyridinecarboxaldehydeMFCD041125054-methoxy-pyridine-3-carbaldehye4-Methoxy-pyridine-3-carbaldehyde4-Methoxy-3-pyridine carboxaldehyde

이름 더 보기

4-MethoxynicotinaL4-Methoxy-3-carboxaldehydepyridine3-Pyridinecarboxaldehyde, 4-methoxy- (9CI)

3-PYRIDINECARBOXALDEHYDE, 4-METHOXY-4-Methoxy-3-formylpyridine4-methoxy-3-formoylpyridineNicotinamidase Inhibitor, 22SCHEMBL1605930SCHEMBL3251286SCHEMBL30937481BDBM92855

데이터베이스 식별자

CAS: 82257-15-6
PubChem CID: 11332503
DTXSID: DTXSID40462547
EC Number: 636-011-8
Nikkaji: J273.988G

물성

구조 계산 물성

XLogP: 0.3
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

녹는점: 63 · 63-67°C
끓는 점: 262.9 · 262.9±20.0 °C(Predicted)
밀도: 1.159 · 1.159±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 4.75 · 4.75±0.18(Predicted)

화학적 성질

light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 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 (100%)

안전 데이터

HS 번호: 2933399990
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도4-Methoxypyridine-3-carboxaldehyde, is an intermediate for the synthesis of 4-Hydroxy-3-pyridinecarboxylic Acid (H952780). It can also be used for the preparation of 7,8-dimethylquinolines derivatives as potential antimicrobial and antifungal agents.