基本情報
- CAS
519-73-3- 標準SMILES
c1ccc(C(c2ccccc2)c2ccccc2)cc1- InChIKey
AAAQKTZKLRYKHR-UHFFFAOYSA-N- 分子式
- C19H16
- 平均分子量
- 244.3 g/mol
- 単同位体質量
- 244.12520051
概要
Triphenylmethane is a triarylmethane in which the three aryl groups are phenyl. It forms the basic skeleton of several synthetic dyes. It has a role as a xenobiotic and an environmental contaminant.
名称と識別子
- 優先名称
- Triphenylmethane
- IUPAC
- benzhydrylbenzene
- 現地名
- トリフェニルメタン
- 英語名
- Triphenylmethane
- 分子式
- C19H16
- 分子量
- 244.33
名称と別名
名称をさらに表示
データベース識別子
- CAS
519-73-3- PubChem CID
- 10614
- DTXSID
DTXSID3060164- ChEBI
CHEBI:76212- UNII
- 8O4UTW9E17
- EC Number
- 208-275-0
- Nikkaji
- J1.574A
物性
構造計算による物性
- XLogP
- 5.3
- 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
- 19
- 形式電荷
- 0
- 複雑度
- 196
実験および物理化学的性質
物理化学的性質
- 融点
- 92 · 92-94 °C(lit.)
- 沸点
- 358 · 358-359 °C754 mm Hg(lit.)
- 比重(密度)
- 1.014 g/mL · 1.014 g/mL at 25 °C(lit.)
- 屈折率
- 100 · nD100 1.59546
- 闪点
- 358 · 358-359°C
- 貯蔵温度
- 30 °C · Store below +30°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)
- 31.5 · 31.5(at 25℃)
- 外見
- 粉
- 色
- かすかな黄色
- 比重
- 1.014 · 1.014
- 水溶解度
- 不溶性
- Merck
- 14 · 14,9741
- BRN
- 1909753 · 1909753
- Dielectric constant
- 3.6 · 3.6(65℃)
- 安定性
- 安定;可燃性。強力な酸化剤とは相容れない。
- InChI
- 1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
- InChIKey
- AAAQKTZKLRYKHR-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)C(c2ccccc2)c3ccccc3
- CAS データベース
- 519 · 519-73-3(CAS DataBase Reference)
- NISTの化学物質情報
- Triphenylmethane(519-73-3)
- EPAの化学物質情報
- 1 · Benzene, 1,1',1''-methylidynetris- (519-73-3)
化学的性質
化学的特性colorless or light brown powder. soluble in nonpolar organic solvents and not in water. Triphenylmethane is the basic skeleton of many synthetic dyes called triarylmethane dyes, many of them are pH indicators, and some display fluorescence. A trityl group in organic chemistry is a triphenylmethyl group Ph3C, e.g. triphenylmethyl chloride (trityl chloride) and the triphenylmethyl radical (trityl radical).
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): 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 3 reports by companies from 2 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: Benzene, 1,1',1''-methylidynetris-
Benzene, 1,1',1''-methylidynetris-: 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
- 29029080
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- 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
応用分野
解説トリフェニルメタン.ベンゼン3分子とクロロホルムとをフリーデル-クラフツ縮合させると得られる.二つの結晶形(アルコール溶媒)が知られており,不安定形は融点81 ℃,安定形は融点94 ℃.沸点359 ℃.λmax 256,262,269 nm(log ε 2.86,2.92,2.81).エーテル,クロロホルムなどに可溶.中心炭素に結合した水素は,弱い酸性(pKa 32.5)を示し,金属類と反応して深赤色のトリフェニルメタニドアニオン溶液を与え,酸化すればトリフェニルメタノールになる.
使用Triphenylmethane is a triarylmethane compound used as the backbone of synthetic dyes. Triphenylmethane has also been shown to inhibit 3-methylcholanthrene-induced neoplastic transformation of 10T1/2 cells.
調製方法
製造方法Triphenylmethane can be synthesized by Friedel–Crafts reaction from benzene and chloroform with aluminium chloride catalyst: 3 C6H6 + CHCl3 → Ph3CH + 3 HCl
純化方法Crystallise triphenylmethane from EtOH or *benzene (with one molecule of *benzene of crystallisation which is lost on exposure to air or by heating on a water bath). It can also be sublimed under vacuum. It has been given a preliminary purification by refluxing with tin and glacial acetic acid, then filtered hot through a glass sinter disc, and precipitated by addition of cold water. [Beilstein 5 H 698, 5 IV 2495.]
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
補足説明
定義ChEBI: Triphenylmethane is a triarylmethane in which the three aryl groups are phenyl. It forms the basic skeleton of several synthetic dyes. It has a role as a xenobiotic and an environmental contaminant.
関連反応
化合物ノート
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