６－メチルクリセイン

6-Methylchrysene

HCID 15564CAS 1705-85-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc2c3ccccc3ccc2c2ccccc12
InChIKey: ASVDRLYVNFOSCI-UHFFFAOYSA-N
分子式: C19H14
平均分子量: 242.3 g/mol
単同位体質量: 242.10955045

概要

6-Methylchrysene is a carbopolycyclic compound.

名称と識別子

優先名称: 6-Methylchrysene
IUPAC: 6-methylchrysene
現地名: ６－メチルクリセイン
英語名: 6-Methylchrysene
分子式: C19H14
分子量: 242.31

名称と別名

6-METHYLCHRYSENE1705-85-7Chrysene, 6-methyl-AJ0QU2286VDTXSID30748146-methylchrysene, 4(or 6)-methyl cpdRefChem:543978DTXCID6035449216-942-26-Methyl ChryseneMETHYLCHRYSENEC19H14

名称をさらに表示

６－メチルクリセイン6-メチルクリセン標準品６メチルクリセイン6-メチルクリセン6‐メチルクリセン標準品6-メチルクリセン, IN ACETONITRILE (10ΜG/ML)6-メチルクリセン, IN TOLUENE (200ΜG/ML)6-メチルクリセン, 50 µg/mL in Toluene6-methylquinone6-methyl-chrysenCHRYSENE,6-METHYL-Trofinetide Impurity 15C20890000 6-Methylchrysene67405 6-METHYLCHRYSENE (PURITY)6-Methylchrysene@50 μg/mL in Toluene6-Methylchrysene 10.0 μg/ml Acetonitrile6-Methylchrysene 10 μg/mL in Acetonitrile

MFCD0021592041637-90-5Chrysene, 6-methyl-; 6-MethylchryseneChrysene, methyl-CCRIS 6759EINECS 216-942-2BRN 1954732UNII-AJ0QU2286V

データベース識別子

CAS: 1705-85-7、41637-90-5
PubChem CID: 15564
DTXSID: DTXSID3074814
ChEMBL: CHEMBL1797292
ChEBI: CHEBI:82488
UNII: AJ0QU2286V
EC Number: 216-942-2
Nikkaji: J33.983K

物性

構造計算による物性

XLogP: 6
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 0
重原子数: 19
形式電荷: 0
複雑度: 320

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: 161.5 °C · 161.5°C
沸点: 465.14 °C · 465.14°C (rough estimate)
比重(密度): 1.1011 · 1.1011 (estimate)
屈折率: 1.748 · 1.7480 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Slightly), Methanol (Slightly, Heated)
外見: Solid
色: Off-White to Pale Yellow
水溶解度: 65 ug/L · 65ug/L(27℃)
Henry's Law Constant: 2.2 · 2.2×100 mol/(m3Pa) at 25℃, Parnis et al. (2015)
主な用途: 一般的な分析
InChI: InChI=1S/C19H14/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-12H,1H3
InChIKey: ASVDRLYVNFOSCI-UHFFFAOYSA-N
SMILES: C1=C2C(C3C(C=C2)=C2C(C=CC=C2)=C(C)C=3)=CC=C1
EPAの化学物質情報: 6 · 6-Methylchrysene (1705-85-7)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 5.6% (3 of 54) of reports.

Warning

H302 (72.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P301+P317, P308+P316, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (72.2%)

毒性情報

Carcinogen Classification · 5 件

6-Methylchrysene

Group 3: Not classifiable as to its carcinogenicity to humans

Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)

2010

2005

安全データ

wgk: WGK 3
risk_code: 22-50
hazard_code: Xn
safety_code: 61
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Metabolism/Metabolites6-methylchrysene has known human metabolites that include 6-MeC-1,2-diol.

応用分野 · 1 件

使用6-Methylchrysene is one of the methylated chrysenes (MeChry), as an aryl hydrocarbon receptor (AhR) agonist. Methylated chrysenes (MeChry) are important cigarette smoke constituents and 6-MeChry has b een listed as possibly carcinogenic to humans.

サプライヤー24 社

郑州海阔光电材料有限公司67759225 13526468238 · [email protected]

郑州海阔光电材料有限公司+86-371-55919009 +8615225108189 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]