基本情報
- 標準SMILES
OC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
LZTRCELOJRDYMQ-UHFFFAOYSA-N- 分子式
- C19H16O
- 平均分子量
- 260.3 g/mol
- 単同位体質量
- 260.12011513
概要
Tritylalcohol is a benzenoid aromatic compound.
名称と識別子
- 優先名称
- Triphenylcarbinol
- IUPAC
- triphenylmethanol
- 現地名
- トリフェニルメタノール
- 英語名
- Triphenylmethanol
- 分子式
- C19H16O
- 分子量
- 260.33
名称と別名
名称をさらに表示
データベース識別子
- CAS
76-84-6- PubChem CID
- 6457
- DTXSID
DTXSID0058803- ChEMBL
CHEMBL118166- ChEBI
CHEBI:228440- UNII
- U97Q0OU9KB
- EC Number
- 200-988-5
- Nikkaji
- J4.186F
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 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
- 235
実験および物理化学的性質
Physical Description
Other Solid
Solid; [Merck Index] White to cream crystalline powder; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 160 · 160-163 °C (lit.)
- 沸点
- 360 °C · 360 °C (lit.)
- 比重(密度)
- 40 · d40 1.199
- 屈折率
- 1.622 · 1.6220 (estimate)
- 闪点
- 360 · 360-380°C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 0.1 g/mL、透明 · ジオキサン: 0.1 g/mL、透明
- 酸解離定数(Pka)
- 12.73 · 12.73±0.29(Predicted)
- 外見
- 微結晶性粉末
- 色
- 白色~淡黄色
- 水溶解度
- 不溶性
- Merck
- 14 · 14,9739
- BRN
- 1460837 · 1460837
- 安定性
- 安定。可燃性。酸化剤、酸、酸塩化物、酸無水物と相容れない。
- InChI
- 1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
- InChIKey
- LZTRCELOJRDYMQ-UHFFFAOYSA-N
- SMILES
- OC(c1ccccc1)(c2ccccc2)c3ccccc3
- CAS データベース
- 76 · 76-84-6(CAS DataBase Reference)
- NISTの化学物質情報
- Benzenemethanol, «alpha»,«alpha»-diphenyl-(76-84-6)
- EPAの化学物質情報
- Benzenemethanol, .alpha.,.alpha.-diphenyl- (76-84-6)
化学的性質
化学的特性Triphenylmethanol is a white powder or colorless, isolated crystals that are soluble in alcohol, ether, and benzene. It turns dark yellow when dissolved in concentrated sulfuric acid, colorless when dissolved in glacial acetic acid, and is insoluble in water and petroleum ether. It distills at 360-380°C without decomposition.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.9% (1 of 114) of reports.
Warning
H315 (98.2%): Causes skin irritation [Warning Skin corrosion/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 114 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzenemethanol, .alpha.,.alpha.-diphenyl-
Benzenemethanol, .alpha.,.alpha.-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, .alpha.,.alpha.-diphenyl- 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: 14-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21505
Benzenemethanol, .alpha.,.alpha.-diphenyl-: 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
- hs_code
- 29062900
- risk_code
- 38-36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
General Manufacturing Information
Petrochemical Manufacturing
Benzenemethanol, .alpha.,.alpha.-diphenyl-: ACTIVE
応用分野
解説トリフェニルメタノール,板状晶.融点165 ℃,沸点380 ℃.エタノール,エーテル,ベンゼンに可溶,石油エーテルに不溶.種々の還元剤によりトリフェニルメタンとなり,塩化水素により塩化トリフェニルメチルになる.濃硫酸に溶けてトリフェニルメチルカチオン(黄色)を生成し,このカチオンは結晶性の過塩素酸塩として単離できる.森北出版「化学辞典(第2版)
使用Triphenylmethanol is used as a reagent in the research laboratory. It acts as an intermediate in the production of the commercially useful triarylmethane dyes. It is used in the preparation of triphenylmethane. It is also used as an antiproliferative agent. Further, it is used in the preparation of two-electron reduction product of pyrylogen. In addition to this, it reacts with triphenylphosphine oxide to form a 1:1 molecular complex. It serves as a specific clathrate host for methanol and dimethyl sulphoxide and forms clathrate inclusion complexes. Triphenylmethanol was used in the synthesis of of the two-electron reduction product of pyrylogen. It undergoes reduction to triphenylmethane by 9, 10-dihydro-10-methylacridine in the presence of perchloric acid.
一般的な説明Triphenylmethanol forms 1:1 molecular complex with triphenylphosphine oxide. It is a specific clathrate host for methanol and dimethyl sulphoxide and forms clathrate inclusion complexes. It undergoes reduction to triphenylmethane by 9, l0-dihydro-10-methylacridine in the presence of perchloric acid.
調製方法
製造方法Triphenylmethanol synthesis: Triphenylmethanol was prepared by the action of benzene with carbon tetrachloride in the presence of Aluminum chloride, followed by acidification and hydrolysis.Triphenylmethanol can also be prepared by the reaction of phenylmagnesium bromide with methyl benzoate (instead of benzophenone).Synthesis of Triphenylmethanol
純化方法Crystallise the carbinol from EtOH, MeOH, CCl4 (4mL/g), *benzene, hexane or pet ether (b 60-70o). Dry it at 90o. [Ohwada et al. J Am Chem Soc 108 3029 1986, Beilstein 6 IV 5014.]
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