基本情報
- 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
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
名称をさらに表示
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
Physical Description
Liquid
Solid; [Merck Index] White crystals, insoluble in water; [MSDSonline]
Kovats Retention Index
1496.7;1509.3;1539;1494;1516;1489;1511.4;1487
1508.8;1519.2;1524.3;1508.8;1519.2;1524.3;1528;1546.3;1560;1541;1563;1525;1526.7;258.9;260.1;260.1;260.4;260.13;260.49
2070;2069;2072;2061;2061
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
- 蒸気密度
- 6.29 · 6.29
- 闪点
- 264 °F · 264°F
安全と法規制
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.;Reported as not meeting GHS hazard criteria per 91 of 197 reports by companies.;There is 1 notification provided by 106 of 197 reports by companies with hazard statement code(s).;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
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)
Status: Active Update: 19-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21976
Benzene, 1,1'-(1,2-ethanediyl)bis-: Does not have an individual approval but may be used under an appropriate group standard
安全と保護具
Protective Action Criteria (PAC)
14 [mg/m3]
150 [mg/m3]
890 [mg/m3]
法規制情報
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)
Status: Active Update: 19-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21976
Benzene, 1,1'-(1,2-ethanediyl)bis-: Does not have an individual approval but may be used under an appropriate group standard
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
General Manufacturing Information
Electrical Equipment, Appliance, and Component Manufacturing;All Other Basic Organic Chemical Manufacturing;All Other Chemical Product and Preparation Manufacturing
Benzene, 1,1'-(1,2-ethanediyl)bis-: ACTIVE
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