2,7-디메틸나프탈렌

2,7-디메틸나프탈렌 · Trofinetide Impurity 1 · 2,7-Dimethyl-phthalene · 2,7-Dimcthylnaphthaline · 2,7-Dimethylnaphthalene · 2,7-DIMETHYLNAPTHTHALENE · naphthalene,2,7-dimethyl- · 2,7-Dimethylnaphthalene,99%

https://huagongshe.com/ko/chemical/11396

식별자 및 물리적 특성

CAS No.	582-16-1
분자식	C12H12
평균 분자량	156.22 g/mol
단동위원소 질량	156.09390038 g/mol
SMILES	Cc1ccc2ccc(C)cc2c1
InChIKey	LRQYSMQNJLZKPS-UHFFFAOYSA-N
PubChem CID	11396
ChEMBL	CHEMBL195036
ChEBI	CHEBI:48632
EC No.	209-477-1
DTXSID	DTXSID7060386
현지명	2,7-디메틸나프탈렌

화학 및 물리적 성질

XLogP	4.3
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	134
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
LogP(분배 계수)	4.37
Collision Cross Section	129.5 Å² [M+H]+
녹는점	94-97 °C (lit.)
끓는 점	263 °C (lit.)
밀도	1.0030
굴절률	1.5956 (estimate)
인화점	262-264°C
저장 조건	Sealed in dry,Room Temperature
물리적 상태	powder to crystal
색상	흰색에서 거의 흰색
BRN	1852737
헨리 상수	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(분배 계수)	4.447 (est)
EPA	2,7-Dimethylnaphthalene (582-16-1)

화학적 성질

white to beige powder or flakes

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Not Classified
수질 위해 등급(WGK)	3
관세 코드	2902900000
안전 문구(S)	22-24/25
저장 분류	11 - Combustible Solids

용도

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

일반 설명

The 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.