2,7-Dimethoxynaphthalene

HCID 77021CAS 3469-26-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc2ccc(OC)cc2c1
InChIKey: PPKHAIRFQKFMLE-UHFFFAOYSA-N
분자식: C12H12O2
평균 분자량: 188.22 g/mol
단동위원소 질량: 188.08372962

개요

structure given in first source

이름 및 식별자

우선 이름: 2,7-Dimethoxynaphthalene
IUPAC: 2,7-dimethoxynaphthalene
영어명: 2,7-Dimethoxynaphthalene
분자식: C12H12O2
분자량: 188.22

이름 및 동의어

2,7-Dimethoxynaphthalene3469-26-9Naphthalene, 2,7-dimethoxy-DTXSID70188243RefChem:83425DTXCID00110734222-433-6MFCD00004064EINECS 222-433-6SCHEMBL443528SCHEMBL11361135SCHEMBL21830263

이름 더 보기

2,7-Dimethoxy2,7-Dimethoxyphthalene7-Dimethoxynaphthalene2,7-Dimethoxynaphthalin2,7-DimethoxylNaphthalene2,7-Dimethoxynaphthalene>2,7- twoMethoxy naphthalene2,7-Dimethoxynaphthalene,98%

SCHEMBL293670322,7-Dimethoxynaphthalene, 98%PPKHAIRFQKFMLE-UHFFFAOYSA-CS-M0858NSC28991NSC 28991NSC-28991AKOS000121467

데이터베이스 식별자

CAS: 3469-26-9
PubChem CID: 77021
DTXSID: DTXSID70188243
EC Number: 222-433-6
Nikkaji: J69.939J

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 163

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 137 · 137-139 °C (lit.)
끓는 점: 283.23 °C · 283.23°C (rough estimate)
밀도: 1.075 · 1.0750 (rough estimate)
굴절률: 1.601 · 1.6010 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: InChI=1S/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3
InChIKey: PPKHAIRFQKFMLE-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC(OC)=C2)=CC=C1OC
NIST: 2 · Naphthalene, 2,7-dimethoxy-(3469-26-9)

화학적 성질

off-white to brown crystalline powder

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

wgk: 3
HS 번호: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-24/25
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesSynthetic Polymer MALDI Matrix Compounds

응용 분야 · 1건

용도2,7-Dimethoxynaphthalene was employed as matrix to investigate the structure of polymetallic porphyrins via matrix-assisted laser desorption/ionization. It was also used in the synthesis of:peri-aroylnaphthalene compounds via elective electrophilic aromatic aroylation2-amino-1,2,3,4-tetrahydronaphthalene-6,7-diol