基本情報
- 標準SMILES
O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1- InChIKey
LYXOWKPVTCPORE-UHFFFAOYSA-N- 分子式
- C19H14O
- 平均分子量
- 258.3 g/mol
- 単同位体質量
- 258.10446507
名称と識別子
- 優先名称
- 4-Benzoylbiphenyl
- IUPAC
- phenyl-(4-phenylphenyl)methanone
- 現地名
- 4-フェニルベンゾフェノン
- 英語名
- 4-Benzoylbiphenyl
- 分子式
- C19H14O
- 分子量
- 258.31
名称と別名
名称をさらに表示
データベース識別子
- CAS
2128-93-0- PubChem CID
- 75040
- DTXSID
DTXSID4062193- ChEMBL
CHEMBL5205515- UNII
- UK25C63WBD
- EC Number
- 218-345-2
- Nikkaji
- J149.803G
物性
構造計算による物性
- XLogP
- 4.9
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 302
実験および物理化学的性質
物理化学的性質
- 融点
- 99 · 99-101 °C(lit.)
- 沸点
- 419 · 419-420 °C(lit.)
- 比重(密度)
- 1.0651 · 1.0651 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 屈折率
- 1.55 · 1.5500 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- クロロホルム(微量)、メタノール(微量、加温)
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- 水溶解度
- 73.6 μg/L · 73.6μg/L at 20℃
- BRN
- 1876092 · 1876092
- InChI
- 1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
- InChIKey
- LYXOWKPVTCPORE-UHFFFAOYSA-N
- SMILES
- O=C(c1ccccc1)c2ccc(cc2)-c3ccccc3
- LogP
- 4.7 at · 4.7 at 35℃
- CAS データベース
- 2128 · 2128-93-0(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Methanone, [1,1'-biphenyl]-4-ylphenyl-(2128-93-0)
- EPAの化学物質情報
- 1 · Methanone, [1,1'-biphenyl]-4-ylphenyl- (2128-93-0)
化学的性質
化学的特性SLIGHTLY YELLOW TO BEIGE CRYSTALLINE POWDER
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 92.8% (2211 of 2383) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 2211 of 2383 companies (only 7.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 2383 reports by companies from 7 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2211 of 2383 reports by companies.;There are 6 notifications provided by 172 of 2383 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: Methanone, [1,1â²-biphenyl]-4-ylphenyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Methanone, [1,1'-biphenyl]-4-ylphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, [1,1'-biphenyl]-4-ylphenyl- 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: 17-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25482;Status: Active Update: 26-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25180
Methanone, [1,1'-biphenyl]-4-ylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Chemical: Methanone, [1,1â²-biphenyl]-4-ylphenyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Methanone, [1,1'-biphenyl]-4-ylphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, [1,1'-biphenyl]-4-ylphenyl- 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: 17-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25482;Status: Active Update: 26-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25180
Methanone, [1,1'-biphenyl]-4-ylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PC4936800
- hs_code
- 29143990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 24/25-36-26
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Repr. 1B
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
General Manufacturing Information
Plastics Material and Resin Manufacturing;Not Known or Reasonably Ascertainable
Methanone, [1,1'-biphenyl]-4-ylphenyl-: ACTIVE
応用分野
用途有機合成原料。
上流・下流製品情報
上流原料
下流製品
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