1,1-Diphenylethylene (HCID 10740)

概要

structure

名称と識別子

優先名称: 1,1-Diphenylethylene
IUPAC: 1-phenylethenylbenzene
現地名: 1,1-ジフェニルエチレン
英語名: 1,1-Diphenylethylene
分子式: C14H12
分子量: 180.25

名称と別名

1,1-DIPHENYLETHYLENE530-48-31,1-DiphenyletheneBenzene, 1,1'-ethenylidenebis-alpha-PhenylstyreneBX0L5B6LLLalpha,alpha-Diphenylethylenealpha-Methylene-diphenylmethaneNSC-57645DTXSID5060190RefChem:71127DTXCID7041336

名称をさらに表示

1,1-ジフェニルエチレン1,1-ジフェニルエテン1,1'-エテニリデンビスベンゼン1,1'-エテニリデンビス(ベンゼン)unsym-ジフェニルエチレンエテニリデンビスベンゼンエテン-1,1-ジイルジベンゼンビニリデンジベンゼンα-フェニルスチレン1,1‐ジフェニルエチレン1,1-ジフェニルエチレン, 98%DiphenylethyleneDDNU1-BROMO-4-(DIETHOXYMETHYL)BENZENEDKSI0101,1-distyreneα,α-diphenylethylene

208-482-6ethene-1,1-diyldibenzene(1-phenylethenyl)benzene1-phenylethenylbenzeneunsym-DiphenylethyleneEthylene, 1,1-diphenyl-as-DiphenylethyleneMFCD00008583

データベース識別子

CAS: 530-48-3
PubChem CID: 10740
DTXSID: DTXSID5060190
UNII: BX0L5B6LLL
EC Number: 208-482-6
Nikkaji: J6.702D

物性

構造計算による物性

XLogP: 4.6
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: 2
重原子数: 14
形式電荷: 0
複雑度: 160

実験および物理化学的性質

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid; mp = 8.2 deg C; [Merck Index] Yellow liquid; [MSDSonline]

物理化学的性質

融点: 6 °C · 6 °C (lit.)
沸点: 270 · 270-271 °C (lit.)
比重(密度): 1.021 g/mL · 1.021 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.608(lit.)
闪点: 221 °F · 221 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
色: 無色透明～黄金色
水溶解度: メタノール、クロロホルム、エーテルと混和します。水に不溶。
Merck: 14 · 14,3323
BRN: 1099062 · 1099062
InChI: 1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChIKey: ZMYIIHDQURVDRB-UHFFFAOYSA-N
SMILES: C=C(c1ccccc1)c2ccccc2
CAS データベース: 530 · 530-48-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · Ethylene, 1,1-diphenyl-(530-48-3)
EPAの化学物質情報: 1 · Benzene, 1,1'-ethenylidenebis- (530-48-3)

化学的性質

化学的特性Clear colorless to golden liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.9% (1 of 116) of reports.

Danger

H304 (89.7%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P261, P272, P273, P280, P301+P316, P302+P352, P321, P331, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 116 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzene, 1,1'-ethenylidenebis-

Status: Active Update: 28-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13775

Benzene, 1,1'-ethenylidenebis-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Toxicity not fully known; [MSDSonline]

Hazard Classes and CategoriesAsp. Tox. 1 (89.7%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9 / PGIII
hs_code: 29029090
消防法: 危-4-3-III
safety_code: 23-24/25
hazard_class: 9
Hazard Classifications: Aquatic Chronic 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1,1'-ethenylidenebis-: ACTIVE

応用分野 · 2 件

用途有機合成原料。

使用1,1-Diphenylethylene is used in the preparation of 2-chloro-1,1-diphenyl-ethene by reacting with benzeneseleninyl chloride and aluminum(III) chloride as reagents. It acts as an intermediate in organic synthesis as well as in pharmaceuticals.