4-Methoxy-1-naphthaldehyde

HCID 85217

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 15971-29-6
표준 SMILES: COc1ccc(C=O)c2ccccc12
InChIKey: MVXMNHYVCLMLDD-UHFFFAOYSA-N
분자식: C12H10O2
평균 분자량: 186.21 g/mol
단동위원소 질량: 186.06807956

개요

used for fluorometric assays for isozymes of human alcohol dehydrogenase; structure given in first source

이름 및 식별자

우선 이름: 4-Methoxy-1-naphthaldehyde
IUPAC: 4-methoxynaphthalene-1-carbaldehyde
영어명: 4-Methoxy-1-naphthaldehyde
분자식: C12H10O2
분자량: 186.21

이름 및 동의어

4-Methoxy-1-naphthaldehyde15971-29-64-Methoxy-1-naphthalaldehyde4-Methoxy-1-naphthalenecarboxaldehydeE2L48UL293NSC-97025DTXSID60166717RefChem:524484DTXCID2089208240-109-24-methoxynaphthalene-1-carbaldehyde1-Naphthalenecarboxaldehyde, 4-methoxy-

이름 더 보기

AKOS B022255TIMTEC-BB SBB0002564-Methoxy-1-Naphtol4-Methoxy-1-naphthylaldehyde4-Methoxy-1-naphthaldehyde>4-Methoxy-1-naphthaldehyde,99%4-monomethoxy-1-naphthaldehyde

MFCD00004006SCHEMBL5456611-Naphthaldehyde, 4-methoxy-4-Methoxy-1-naphthaldehyde, 99%AKOS000113157CS-W016898SY0406064-methoxynaphthalenecarbaldehyde

데이터베이스 식별자

CAS: 15971-29-6
PubChem CID: 85217
DTXSID: DTXSID60166717
ChEMBL: CHEMBL4447838
UNII: E2L48UL293
EC Number: 240-109-2
Nikkaji: J219.922J

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 202

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 35 · 35-36 °C(lit.)
끓는 점: 212 °C40 · 212 °C40 mm Hg(lit.)
밀도: 1.1879 · 1.1879
굴절률: 1.664 · 1.6640
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 저융점 고체
색상: 약간 베이지~핑크 브라운
BRN: 2046436 · 2046436
InChI: 1S/C12H10O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKey: MVXMNHYVCLMLDD-UHFFFAOYSA-N
SMILES: COc1ccc(C=O)c2ccccc12
NIST: 1 · 1-Naphthalenecarboxaldehyde, 4-methoxy-(15971-29-6)

화학적 성질

slightly beige to pink-brown low melting 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29124990
risk_code: 36/37/38
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Methoxy-1-naphthaldehyde was used in fluorometric enzymatic assay for determination of activity of class I and II alcohol dehydrogenase isoenzymes in human pancreas and in human liver homogenates.