2,7-디메틸나프탈렌

2,7-Dimethylnaphthalene

HCID 11396CAS 582-16-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc2ccc(C)cc2c1
InChIKey: LRQYSMQNJLZKPS-UHFFFAOYSA-N
분자식: C12H12
평균 분자량: 156.22 g/mol
단동위원소 질량: 156.09390038

개요

2,7-dimethylnaphthalene is a dimethylnaphthalene.

이름 및 식별자

우선 이름: 2,7-Dimethylnaphthalene
IUPAC: 2,7-dimethylnaphthalene
현지명: 2,7-디메틸나프탈렌
영어명: 2,7-Dimethylnaphthalene
분자식: C12H12
분자량: 156.22

이름 및 동의어

2,7-DIMETHYLNAPHTHALENE582-16-1Naphthalene, 2,7-dimethyl-2,7-DMNON63XH5BQ4UNII-ON63XH5BQ4EINECS 209-477-1NSC 36851NSC-36851CHEBI:48632AI3-17610DTXSID7060386

이름 더 보기

2,7-디메틸나프탈렌Trofinetide Impurity 12,7-Dimethyl-phthalene2,7-Dimcthylnaphthaline2,7-DIMETHYLNAPTHTHALENEnaphthalene,2,7-dimethyl-2,7-Dimethylnaphthalene,99%2,7-Dimethylnaphthalene >2,7-Dimethylnaphthalene 99%2,7-DIMETHYLNAPHTHALENE 98+%

RefChem:83433DTXCID9042336Naphthalene, 2,7-dimethyl-(8CI)Naphthalene, 2,7-dimethyl-(8CI)(9CI)209-477-1LRQYSMQNJLZKPS-UHFFFAOYSA-N2,7-dimethyl-naphthaleneMFCD00004121

데이터베이스 식별자

CAS: 582-16-1
PubChem CID: 11396
DTXSID: DTXSID7060386
ChEMBL: CHEMBL195036
ChEBI: CHEBI:48632
UNII: ON63XH5BQ4
EC Number: 209-477-1
Nikkaji: J116.789H

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 134

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP4.37

Collision Cross Section129.5 Å² [M+H]+

물리화학적 성질

녹는점: 94 · 94-97 °C (lit.)
끓는 점: 263 °C · 263 °C (lit.)
밀도: 1.003 · 1.0030
굴절률: 1.5956 · 1.5956 (estimate)
인화점: 262 · 262-264°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 1852737 · 1852737
Henry's Law Constant: 2.1 · 2.1×10-2 mol/(m3Pa) at 25℃, Schröder et al. (2013)
InChI: 1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3
InChIKey: LRQYSMQNJLZKPS-UHFFFAOYSA-N
SMILES: Cc1ccc2ccc(C)cc2c1
LogP: 4.447 · 4.447 (est)
EPA: 2 · 2,7-Dimethylnaphthalene (582-16-1)

화학적 성질

white to beige powder or flakes

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 2902900000
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,7-Dimethylnaphthalene was used in the preparation of 2,7-bisbromomethylnapthalene via bromination with N-bromosuccinimide.

일반 설명The atmospheric oxidation mechanism of 2,7-dimethylnaphthalene initiated by OH radical was investigated. Adsorption of 2,7-dimethylnaphthalene isomers dissolved in supercritical carbon dioxide on NaY-type zeolite was also studied.