Dibenzyl
基本情報
- CAS
103-29-7- 標準SMILES
c1ccc(CCc2ccccc2)cc1- InChIKey
QWUWMCYKGHVNAV-UHFFFAOYSA-N- 分子式
- C14H14
- 平均分子量
- 182.26 g/mol
- 単同位体質量
- 182.10955045
概要
1,2-dihydrostilbene is a diphenylethane that is the 1,2-dihydro derivative of stilbene.
名称と識別子
- 優先名称
- Dibenzyl
- IUPAC
- 2-phenylethylbenzene
- 英語名
- 1,2-Diphenylethane
- 分子式
- C14H14
- 分子量
- 182.26096
名称と別名
1,2-DiphenylethaneBIBENZYL103-29-7Dibenzyl1,2-DihydrostilbeneDibenzilsym-Diphenylethane2-phenylethylbenzeneBenzene, 1,1'-(1,2-ethanediyl)bis-DTXSID8041668NSC-30686007C07V77Z
名称をさらに表示
DTXCID6021668CHEBI:340471,1'-(1,2-ethanediyl)bis(benzene)RefChem:119638203-096-4(2-Phenylethyl)benzenes-DiphenylethaneDihydrostilbene
データベース識別子
- CAS
103-29-7- PubChem CID
- 7647
- DTXSID
DTXSID8041668- ChEMBL
CHEMBL440895- ChEBI
CHEBI:34047- UNII
- 007C07V77Z
- EC Number
- 203-096-4
- Nikkaji
- J5.013J
物性
構造計算による物性
- XLogP
- 4.8
- 極性表面積
- 0 Ų
- 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
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 120
実験および物理化学的性質
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PolymersPolycyclic aromatic hydrocarbon
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.6
Density1.00 @25 °C
Boiling Point284 °C @760 [mm Hg]
Melting Point52 °C
Physical Description
Liquid
Solid; [Merck Index] White crystals, insoluble in water; [MSDSonline]
物理化学的性質
- 融点
- 52.5 °C · 52.5 °C
- 沸点
- 284 °C · 284°C
- 比重(密度)
- 1 · 1
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 46.2% (91 of 197) of reports.
H413 (53.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 197 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzene, 1,1'-(1,2-ethanediyl)bis-
Benzene, 1,1'-(1,2-ethanediyl)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-(1,2-ethanediyl)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1,2-diphenylethane (EC: 203-096-4)
Benzene, 1,1'-(1,2-ethanediyl)bis-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline]
Hazard Classes and CategoriesAquatic Chronic 4 (53.8%)
安全と保護具
Protective Action Criteria (PAC)
14 [mg/m3]
150 [mg/m3]
890 [mg/m3]
安全データ
- 毒性
- Poison by intravenous route.Moderately toxic by intraperitoneal route. Combustible.To fight fire, use water, spray, mist, alcohol foam, drychemical. When heated to decomposition it emits acridsmoke and fumes
化学と産業
用途と製造
UsesUsed as an intermediate in the biosynthesis of dihydrophenanthrenes from phenylalanine; [ChemIDplus]
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFlame retardant
Industry UsesInsulators
General Manufacturing Information
Electrical Equipment, Appliance, and Component Manufacturing
Benzene, 1,1'-(1,2-ethanediyl)bis-: ACTIVE
関連反応
17 件
化合物ノート
読み込み中…