トリフェニルメタノール

Triphenylcarbinol

HCID 6457CAS 76-84-6

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

TRIPHENYLMETHANOL76-84-6TriphenylcarbinolTrityl alcoholTritanolTriphenylmethyl alcoholMethanol, triphenyl-hydroxytriphenylmethaneTriphenyl-methanolBenzenemethanol, .alpha.,.alpha.-diphenyl-U97Q0OU9KBZidovudine impurity D
名称をさらに表示
トリフェニルメタノールトリタノール1,1,1-トリフェニルメタノールα,α-ジフェニルベンゼンメタノールトリチルカルビノールトリフェニルカルビノールトリチルアルコールトリフェニルメタノルトリフェニルメタノ-ルα,α-ジフェニルベンジルアルコールTRT-OHTriphenylmethanol, (Triphenyl carbinolTriphenylmethanol,98%Ih-TetrazoletirphenylmethanolTriphenylmethanol ,99%
NSC 4050NSC-4050EINECS 200-988-5Benzenemethanol, alpha,alpha-diphenyl-TRIPHENYLCARBINOL [MI]AI3-08929DTXSID0058803TRIPHENYLMETHANOL [USP-RS]

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

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP3.68
Vapor Pressure0.00000003 [mmHg]
Physical Description · 2 件

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
化学的性質 · 1 件

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 · 5 件

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 · 4 件

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

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Chlorotriphenylmethane and Triphenylmethyl bromide.
Hazard Classes and CategoriesSkin Irrit. 2 (98.2%)

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

化学と産業

用途と製造

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

Petrochemical Manufacturing

Benzenemethanol, .alpha.,.alpha.-diphenyl-: ACTIVE

応用分野 · 3 件

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 · 2 件

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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