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トリス(4-ブロモフェニル)アミン

Tris(4-bromophenyl)amine

HCID 258027
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
4316-58-9
標準SMILES
Brc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIKey
ZRXVCYGHAUGABY-UHFFFAOYSA-N
分子式
C18H12Br3N
平均分子量
482 g/mol
単同位体質量
478.85198568

概要

Tris(4-bromophenyl)aminium hexachloroantimonate is a chemical compound of antimony. Antimony is a metallic element with the chemical symbol Sb and atomic number 51. Small amounts of antimony are found in the earth's crust. (L741, L808)

名称と識別子

優先名称
Tris(4-bromophenyl)amine
IUPAC
4-bromo-N,N-bis(4-bromophenyl)aniline
現地名
トリス(4-ブロモフェニル)アミン
英語名
Tris(4-bromophenyl)amine
分子式
C18H12Br3N
分子量
482.01

名称と別名

Tris(4-bromophenyl)amine4316-58-9DTXSID101347202TBPA amine cpdRefChem:192101DTXCID901376087628-703-34-Bromo-N,N-bis(4-bromophenyl)anilineTris(p-bromophenyl)aminetris-(4-bromophenyl)aminetri(4-bromophenyl)amineMFCD00009665
名称をさらに表示
トリス(4-ブロモフェニル)アミン4,4',4''-ニトリロトリス(1-ブロモベンゼン)N,N-ビス(4-ブロモフェニル)-4-ブロモアニリントリス(p-ブロモフェニル)アミントリス(4-ブロモフェニル)アミン (昇華精製品)4-ブロモ-N,N-ビス(4-ブロモフェニル)アニリン4,4′,4′′-ニトリロトリス(1-ブロモベンゼン)1,1′,1′′-ニトリロトリス(4-ブロモベンゼン)TBTPATris(4-bromophenyLtri(p-bromophenyl)amineTRIS(4-BROMOPHENYL)AMINIII (4-bromophenyl) amine4,4',4"-Tribromotriphenylamine4,4',4''-Nitrilotris(1-bromobenzene)
Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-Amine, tris(4-bromophenyl)-p,p',p''-TribromotriphenylamineSY005733Tris(4-bromophenyl)amine (purified by sublimation)C18H12Br3NTriphenylamine, 4,4',4''-tribromo-FT-0635225

物性

構造計算による物性

XLogP
7.2
極性表面積
3.2 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
22
形式電荷
0
複雑度
275

物理化学的性質

融点
141 · 141-143 °C (lit.)
沸点
514.9 · 514.9±45.0 °C(Predicted)
比重(密度)
1.79 · 1.790±0.06 g/cm3(Predicted)
闪点
100 °C · 100°C
貯蔵温度
Sealed in dry,Room Temperature
溶解性
トルエンに可溶。
酸解離定数(Pka)
-4.91 · -4.91±0.50(Predicted)
外見
powder to crystal
色
White to Almost white
安定性
安定。強力な酸化剤とは相容れない。
InChI
InChI=1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey
ZRXVCYGHAUGABY-UHFFFAOYSA-N
SMILES
C1(N(C2=CC=C(Br)C=C2)C2=CC=C(Br)C=C2)=CC=C(Br)C=C1
CAS データベース
4316 · 4316-58-9(CAS DataBase Reference)

化学的性質

化学的特性Tris(4-bromophenyl)amine typically appears as a white crystalline powder at room temperature and pressure. This compound is chemically active and reacts with oxidants and acid mixtures.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

毒性情報

Treatment · 1 件

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health Effects · 1 件

Dermal exposure to antimony can cause antimony spots (papules and pustules around sweat and sebaceous glands). Antimony poisoning can also lead to pneumoconiosis. Alterations in pulmonary function and other effects including chronic bronchitis, chronic emphysema, inactive tuberculosis, pleural adhesions, and irritation can result from inhalation of antimony. Increased blood pressure can also result from antimony poisoning. Myocardial depression, vasodilation and fluid loss may cause shock with hypotension, electrolyte disturbances and acute renal failure. Cerebral oedema, coma, convulsions, and death are possible. (L741)

Exposure Routes

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Antimony is widely distributed throughout the body. The hair and skin contain the highest levels of antimony. The adrenal glands, lung, large intestine, trachea, cerebellum, and kidneys also contain relatively high levels of antimony. Blood is the main vehicle for the transport of absorbed antimony to various tissue compartments of the body. Antimony is a metal and, therefore, does not undergo catabolism. Antimony can covalently interact with sulfhydryl groups and phosphate, as well as numerous reversible binding interactions with endogenous ligands (e.g., proteins). It is not known if these interactions are toxicologically significant. Antimony is excreted via the urine and feces. Some of the fecal antimony may represent unabsorbed antimony that is cleared from the lung via mucociliary action into the esophagus to the gastrointestinal tract. (L741)

用途と製造

UsesBreathing air, drinking water, and eating foods that contain antimony. Exposure can also occur through dermal or skin contact (L741).
応用分野 · 2 件

説明Tris(4-bromophenyl)amine (TBPA) is a precursor to the oxidising agent Magic Blue. TBPA can be oxidised at relatively accessible electrode potentials, and its radical cation acts as a relatively mild single-electron oxidising agent, allowing for better control of the reaction rate. TBPA is commonly used in photochemical and electrochemical ESR studies.

使用Tris(4-bromophenyl)amine was used in the synthesis of porous luminescent covalent--organic polymers (COPs)

上流・下流製品情報

上流原料

2,3-ジアザビシクロ[2.2.2]オクタ-2-エンN,N,N′,N′-テトラキス(4-ブロモフェニル)ベンジジン

関連反応

7 件
反応記録を作成
HRID 14352 の反応式
HRID 14352反応物としてuspto-grants-2010_06
HRID 321706 の反応式
HRID 321706反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 900544 の反応式
HRID 900544反応物としてuspto-grants-2008_04
HRID 1058648 の反応式
HRID 1058648反応物としてuspto-grants-2003_02
HRID 1441990 の反応式
HRID 1441990反応物としてuspto-grants-2010_02
HRID 1840694 の反応式
HRID 1840694反応物としてuspto-grants-2004_01
HRID 1845979 の反応式
HRID 1845979反応物としてuspto-grants-2015_02

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
4316-58-9
PubChem CID
258027
DTXSID
DTXSID101347202
EC Number
628-703-3
Nikkaji
J149.788J
Inhalation (L741) ; oral (L741) ; dermal (L741)
Toxicity Summary · 1 件

The inhalation data suggests that the myocardium is a target of antimony toxicity. It is possible that antimony affects circulating glucose by interfering with enzymes of the glycogenolysis and gluconeogenesis pathways. The mechanism of action of antimony remains unclear. However, some studies suggest that antimony combines with sulfhydryl groups including those in several enzymes important for tissue respiration. The antidotal action of BAL depends on its ability to prevent or break the union between antimony and vital enzymes. Moreover, the The cause of death is believed to be essentially the same as that in acute arsenic poisoning. (T18, L741, A238)

Signs and Symptoms · 1 件

Abdominal pain, vomiting, diarrhea can result from inhalation of antimony. Dyspnea, headache, vomiting,cough, conjunctivitis, and bloody purulent discharge from nose can result from inhalation exposure. Skin or eye contact can cause pain and redness of the exposed surface. (T64, L741)

Carcinogen ClassificationNo indication of carcinogenicity (not listed by IARC). (L135)

安全データ

wgk
3
hs_code
29214990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス
11 - Combustible Solids
4-ブロモトリフェニルアミン
3,6-ジブロモ-9-(4-ブロモフェニル)カルバゾール
トリフェニルアミン

下流製品

トリス(4-メトキシフェニル)アミンN,N-ビス(4-ビフェニルイル)-N-(4-ブロモフェニル)アミン4-(1-Pyrenyl)-N,N-bis[4-(1-pyrenyl)phenyl]benzenamine

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