2-メチル-9H-フルオレン

2-Methylfluorene

HCID 15026CAS 1430-97-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc2c(c1)Cc1ccccc1-2
InChIKey: RKJHJMAZNPASHY-UHFFFAOYSA-N
分子式: C14H12
平均分子量: 180.24 g/mol
単同位体質量: 180.09390038

名称と識別子

優先名称: 2-Methylfluorene
IUPAC: 2-methyl-9H-fluorene
現地名: 2-メチル-9H-フルオレン
英語名: 2-Methylfluorene
分子式: C14H12
分子量: 180.25

名称と別名

2-Methyl-9H-fluorene2-METHYLFLUORENE1430-97-39H-Fluorene, 2-methyl-2DUC7EB9MCEINECS 215-853-6NSC 90365NSC-90365FLUORENE,2-METHYL-DTXSID1073943RefChem:476049DTXCID8034661

名称をさらに表示

2-メチル-9H-フルオレン2-メチルフルオレン, IN TOLUENE (1000ΜG/ML)2-メチルフルオレン9H-FLOURENE,2-METHYL-

9H-Fluorene, 2-methyl-(9CI)215-853-6MFCD00040873Fluorene, 2-methyl-26914-17-0UNII-2DUC7EB9MCNSC903652-Methyl-9H-fluorene #

データベース識別子

CAS: 1430-97-3、26914-17-0
PubChem CID: 15026
DTXSID: DTXSID1073943
UNII: 2DUC7EB9MC
EC Number: 215-853-6、248-102-6
Nikkaji: J298.617E

物性

構造計算による物性

XLogP: 4.5
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: 14
形式電荷: 0
複雑度: 208

実験および物理化学的性質

Kovats Retention Index · 2 件

1694.8；1712.7；1676；1678.1；1684；287.7；288.2

1720；1673；1673；287.75；277.2；288.28；288.28；288.29；288.42；288.7；287.7；288.21；288.4；272.1；287.7；288.09；288.78；288.21；288.22；286.72

物理化学的性質

融点: 104 °C · 104 °C
沸点: 248.08 °C · 248.08°C (rough estimate)
比重(密度): 1.0414 · 1.0414 (estimate)
屈折率: 1.485 · 1.4850 (estimate)
貯蔵温度: Store at Room Tem.
外見: solid
色: Yellow
Henry's Law Constant: 8.6 · 8.6×10-2 mol/(m3Pa) at 25℃, Parnis et al. (2015)
EPAの化学物質情報: 2 · 2-Methylfluorene (1430-97-3)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2902900000

化学と産業

応用分野 · 1 件

使用2-Methylfluorene is a polycyclic aromatic hydrocarbon most commonly found in diesel exhaust fumes and cigarette smoke. It is thought to contribute to overall impaired respiratory and cardiovasular function after prolonged periods of exposure in humans and may have tumorigenic and mutagenic qualities.