2,6-Dimethylnaphthalene

HCID 11387CAS 581-42-0
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기본 정보

표준 SMILES
Cc1ccc2cc(C)ccc2c1
InChIKey
YGYNBBAUIYTWBF-UHFFFAOYSA-N
분자식
C12H12
평균 분자량
156.22 g/mol
단동위원소 질량
156.09390038

개요

2,6-dimethylnaphthalene is a dimethylnaphthalene carrying methyl groups at positions 2 and 6. It has a role as an environmental contaminant.

이름 및 식별자

우선 이름
2,6-Dimethylnaphthalene
IUPAC
2,6-dimethylnaphthalene
현지명
2,6-디메틸나프탈렌
영어명
2,6-Dimethylnaphthalene
분자식
C12H12
분자량
156.22

이름 및 동의어

2,6-DIMETHYLNAPHTHALENE581-42-0Naphthalene, 2,6-dimethyl-2,6-DMNDTXSID002918776U29QW3FMC14330NSC-36852J45.113DDTXCID309187CHEBI:34251RefChem:445727
이름 더 보기
2,6-디메틸나프탈렌naphthalene,2,6-dimethyl-DIMETHYLNAPHTHALENE2,6-Dimethylnaphthalene,99%JACS-581-42-02.6-DiMethylna2,6-DIMETHYLNAPHTALENE2,6-Dimethylnaphthalin2,6-Dimcthylnaphthaline2,6-DIMETHYLNAPHTHALENE 99%
209-464-02,6-Dimethyl-naphthaleneC12H12MFCD000041202,6-dimethyl-naphtaleneCHEMBL19498396789-56-9UNII-76U29QW3FM

데이터베이스 식별자

CAS
581-42-0、96789-56-9
PubChem CID
11387
DTXSID
DTXSID0029187
ChEMBL
CHEMBL194983
ChEBI
CHEBI:34251
UNII
76U29QW3FM
EC Number
209-464-0
Nikkaji
J45.113D

물성

구조 계산 물성

XLogP
4.3
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Naphthalenes

Semi-Volatile Organic Compound (SVOC) and(or) Waste-water effluent contaminant

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Collision Cross Section128.6 Ų [M+H]+

물리화학적 성질

녹는점
106 · 106-110 °C (lit.)
끓는 점
262 °C · 262 °C (lit.)
밀도
1.01 g/mL · 1.01 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.6088(lit.)
인화점
230 °F · >230 °F
저장 조건
Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.

Warning

H400 (92%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Naphthalene, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Naphthalenes.
Hazard Classes and CategoriesAquatic Acute 1 (92%)

독성 정보

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3건

2,6-Dimethylnaphthalene

Semi-Volatile Organic Compound (SVOC) and(or) Waste-water effluent contaminant

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3077 9 / PGIII
HS 번호
2902.90.9000
risk_code
50/53
hazard_code
N

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

General Manufacturing InformationNaphthalene, 2,6-dimethyl-: ACTIVE

응용 분야

용도2,6-Dimethylnaphthalene hs been used as a substrate in intramolecular isotope effect experiments to compare substrate dynamics in CYP2E1 and CYP2A6.

일반 설명2,6-dimethylnaphthalene is a polycyclic aromatic hydrocarbon available in the water bodies and can be determined by gas chromatography with flame-ionization.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

추가 설명

정의ChEBI: A dimethylnaphthalene carrying methyl groups at positions 2 and 6.

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21건
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