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ジフェニルジセレニド

Diphenyl diselenide

HCID 15460
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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
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基本情報

CAS
1666-13-3
標準SMILES
c1ccc([Se][Se]c2ccccc2)cc1
InChIKey
YWWZCHLUQSHMCL-UHFFFAOYSA-N
分子式
C12H10Se2
平均分子量
312.1 g/mol
単同位体質量
313.91129292

概要

Diphenyl diselenide is an organic molecular entity.

名称と識別子

優先名称
Diphenyl diselenide
IUPAC
(phenyldiselanyl)benzene
現地名
ジフェニルジセレニド
英語名
Diphenyl diselenide
分子式
C12H10Se2
分子量
312.13

名称と別名

Diphenyl diselenide1666-13-3Diselenide, diphenylPhenyl diselenide1,2-Diphenyldiselane(phenyldiselanyl)benzeneDiphenyldiselenideBis(phenylselenide)9ATU3Z459QDTXSID6061864NSC-49763RefChem:134644
名称をさらに表示
ジフェニルジセレニドフェニルジセレニド1,1'-ジセレノビスベンゼンジフェニルペルジセレニドジフェニルペルセレニド二セレン化ジフェニル二セレン化フェニル2セレン化ジフエニル2セレン化ジフェニル二セレン化ジフェニル, 97%1,1′-ジセレノビスベンゼン(フェニルジセラニル)ベンゼンdiseLTwo phenyltwo sediphenyl-diseleniddiphenyl disenenideDiselenide,diphenylDiphenyl perselenide
DTXCID3035347216-780-2diphenyldiselaneC12H10Se2MFCD00003001CHEMBL3122204CCRIS 9227EINECS 216-780-2

データベース識別子

CAS
1666-13-3
PubChem CID
15460
DTXSID
DTXSID6061864
ChEMBL
CHEMBL3122204
ChEBI
CHEBI:232541
UNII
9ATU3Z459Q
EC Number
216-780-2
Nikkaji
J31.930I

物性

構造計算による物性補完中

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
14
形式電荷
0
複雑度
128

物理化学的性質

融点
60 °C · 60 °C
沸点
202 °C · 202 °C / 11mmHg
比重(密度)
1.557 · 1.5570
屈折率
1.743 · 1.7430
貯蔵温度
30 °C · Store below +30°C.
外見
粉
色
黄色
比重
1.84 · 1.84
水溶解度
不溶性
BRN
2047179 · 2047179
InChI
1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChIKey
YWWZCHLUQSHMCL-UHFFFAOYSA-N
SMILES
[Se]([Se]c1ccccc1)c2ccccc2
CAS データベース
1666 · 1666-13-3(CAS DataBase Reference)
NISTの化学物質情報
Diselenide, diphenyl(1666-13-3)
EPAの化学物質情報
Diselenide, diphenyl (1666-13-3)

化学的性質

化学的特性yellow crystalline powder

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Diselenide, diphenyl

Diphenyl diselenide: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 3 (97.9%)

安全と保護具

Minimum Risk LevelChronic Oral: 0.005 mg/kg/day (L134)

毒性情報

Health Effects · 1 件

Chronic oral exposure to high concentrations of selenium compounds can produce a disease called selenosis. The major signs of selenosis are hair loss, nail brittleness, and neurological abnormalities (such as numbness and other odd sensations in the extremities). Animal studies have shown that selenium may also affect sperm production and the female reproductive cycle. (L619)

Exposure Routes

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Selenium may be absorbed through inhalation and ingestion, while some selenium compounds may also be absorbed dermally. Once in the body, selenium is distributed mainly to the liver and kidney. Selenium is an essential micronutrient and is a component of glutathione peroxidase, iodothyronine 5'-deiodinases, and thioredoxin reductase. Organic selenium is first metabolized into inorganic selenium. Inorganic selenium is reduced stepwise to the intermediate hydrogen selenide, which is either incorporated into selenoproteins after being transformed to selenophosphate and selenocysteinyl tRNA or excreted into the urine after being transformed into methylated metabolites of selenide. Elemental selenium is also methylated before excretion. Selenium is primarily eliminated in the urine and feces, but certain selenium compounds may also be exhaled. (L619)

用途と製造

UsesDiphenyl diselenide is a useful reagent in organic synthesis. (L623)
General Manufacturing InformationDiselenide, diphenyl: INACTIVE
応用分野 · 3 件

用途有機合成原料。

使用Diphenyl diselenide is used in the methoxyselenenylation of alkenes, dihydroxylation of double bonds, hydrothiolation of terminal alkynes. It is used in the synthesis of the unsymmetrical diorganyl selenides, 1-(phenylselenomethyl)vinyl selenides, allylic phenyl selenides.

一般的な説明Diphenyl diselenide (Ph2Se2) is an organoselenium compound. Its crystalline structure, toxicokinetic properties, antioxidant and anti-inflammatory activities have been investigated. Its ability to reverse the oxidative brain damage and mitochondrial dysfunction induced by acetaminophen has been studied in mice. It reacts with thallium (Tl) to form TI (SePh). It participates in a four-component radical coupling to form substituted cyclopentanes.

調製方法

関連反応

13 件
反応記録を作成
HRID 3901 の反応式
HRID 3901反応物としてuspto-grants-1988_02
HRID 36040 の反応式
HRID 36040反応物としてuspto-grants-1995_05
HRID 186939 の反応式
HRID 186939反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 256381 の反応式
HRID 256381反応物としてuspto-grants-1987_10
HRID 728426 の反応式
HRID 728426反応物としてuspto-grants-1991_09
HRID 846685 の反応式
HRID 846685反応物としてuspto-grants-1992_08
HRID 846968 の反応式
HRID 846968反応物としてuspto-grants-1992_08
HRID 870037 の反応式
HRID 870037反応物としてuspto-grants-2015_03
1 / 2 ページ

化合物ノート

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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
その他の操作
ノートを作成反応を作成見積依頼を出す
Oral (L619) ; inhalation (L619) ; dermal (L619)
Toxicity Summary · 1 件

Selenium readily substitutes for sulfur in biomolecules and in many biochemical reactions, especially when the concentration of selenium is high and the concentration of sulfur is low. Inactivation of the sulfhydryl enzymes necessary for oxidative reactions in cellular respiration, through effects on mitochondrial and microsomal electron transport, might contribute to acute selenium toxicity. Selenomethionine (a common organic selenium compound) also appears to randomly substitute for methionine in protein synthesis. This substitution may affect the structure and functionability of the protein, for example, by altering disulfide bridges. Inorganic forms of selenium appear to react with tissue thiols by redox catalysis, resulting in formation of reactive oxygen species and causing damage by oxidative stress. (L619)

Signs and Symptoms · 1 件

Short-term oral exposure to high concentrations of selenium may cause nausea, vomiting, and diarrhea. Brief exposures to high levels of elemental selenium or selenium dioxide in air can result in respiratory tract irritation, bronchitis, difficulty breathing, and stomach pains. Longer-term exposure to either of these air-borne forms can cause respiratory irritation, bronchial spasms, and coughing. (L619)

Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)

安全データ

wgk
3
tsca
TSCA listed
rtecs
JM9152500
ridadr
UN 3283 6.1/PG 2
PRTR法
第一種指定化学物質
hs_code
2931 90 00
risk_code
23/25-33-50/53
安衛法
57-2
hazard_code
T,N
safety_code
20/21-28-45-60-61-28A
hazard_class
6.1
packing_group
II
毒劇物取締法
毒物
Hazard Classifications
Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2
ストレージクラス
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

純化方法Crystallise it twice from hexane [Kice & Purkiss J Org Chem 52 3448 1987]. [Beilstein 6 IV 1781.]

上流・下流製品情報

上流原料

セレングリニャール試薬ブロモベンゼン

下流製品

ベンジルセラニドベンゼンセレノールBenzene, [(phenylmethyl)seleninyl]-