Diphenyl disulfide (HCID 13436)

概要

Diphenyl disulfide is a member of benzenes.

名称と識別子

優先名称: Diphenyl disulfide
IUPAC: (phenyldisulfanyl)benzene
現地名: ジフェニルジスルフィド
英語名: Diphenyl disulfide
分子式: C12H10S2
分子量: 218.34

名称と別名

DIPHENYL DISULFIDEPhenyl disulfide882-33-7(Phenyldisulfanyl)benzeneDisulfide, diphenylDiphenyl disulphideBiphenyl disulfidePhenyldithiobenzeneDisulfide diphenylFEMA No. 3225DTXSID6022131NSC-2689

名称をさらに表示

ジフェニルジスルフィドフェニルジスルフィド1,1'-ジチオビスベンゼンジフェニルペルジスルフィドジチオビスベンゼンジフェニルペルスルフィド1,1'-(ジチオ)ジベンゼンジフェニルジスルファン二硫化ジフェニル二硫化フェニル1,1'-ジチオビス(ベンゼン)4,4'-ジチオビス(ベンゼン)ジフェニルジスルフィド, 98%1,1′-ジチオビスベンゼン1,1′-ジチオビス(ベンゼン)4,4′-ジチオビス(ベンゼン)(フェニルジスルファニル)ベンゼン1,1′-(ジチオ)ジベンゼンFEMA 3225PHENYL DISULPHIDEDiphenyl disulfide ,99%Nelfinavir Related CoMpound Eusafe-1AKOS 94361

7P54H519IJDTXCID702131RefChem:588825212-926-41,2-diphenyldisulfanediphenyldisulfideUSAF E-1Phenyldisulfide

データベース識別子

CAS: 882-33-7
PubChem CID: 13436
DTXSID: DTXSID6022131
ChEMBL: CHEMBL462861
ChEBI: CHEBI:174102
UNII: 7P54H519IJ
EC Number: 212-926-4
Nikkaji: J2.117B

物性

構造計算による物性

XLogP: 4.4
極性表面積: 50.6 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 128

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds

SpringerMaterials PropertiesBoiling point

LogP · 2 件

4.41

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.353 (20 °C)

Flavoring AgentsEU Flavoring substances

物理化学的性質

融点: 58 · 58-60 °C (lit.)
沸点: 191 · 191-192 °C (15 mmHg)
比重(密度): 1.353 · 1.353
屈折率: 1 · 1,441-1,444
FEMA: 3225 · 3225 | PHENYL DISULFIDE
闪点: 310 °C · 310°C
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 3 %、透明、無色～黄色 · キシレン：可溶3%、透明、無色～黄色
外見: 結晶性固体
色: ホワイトからオフホワイト
比重: 1.353 · 1.353
臭い (Odor): 0.1 %。硫黄、土、焦げた · プロピレングリコール中0.10%。硫黄、土、焦げた
においのタイプ: 硫黄の
水溶解度: 水に不溶。
JECFA Number: 578 · 578
BRN: 639794 · 639794
安定性: 安定。強酸化剤、強塩基とは相容れない。
InChI: 1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChIKey: GUUVPOWQJOLRAS-UHFFFAOYSA-N
SMILES: S(Sc1ccccc1)c2ccccc2
LogP: 4.41 · 4.41
CAS データベース: 882 · 882-33-7(CAS DataBase Reference)
NISTの化学物質情報: Disulfide, diphenyl(882-33-7)
EPAの化学物質情報: Diphenyl disulfide (882-33-7)

化学的性質

化学的特性White to light yellow crystal.

化学性质沸点192℃

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 141 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory Information · 2 件

Chemical: Disulfide, diphenyl

Disulfide, diphenyl: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Oral LD50 (female rat) > 300-2,000 mg/kg; Anemia and changes of the liver and kidney observed in repeated-dose oral study of rats at 30 mg/kg/day; No adverse effects on reproductive or developmental toxicity parameters seen at doses up to 30 mg/kg/day; No evidence of mutagenicity; [JECDB] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS] See Diallyl disulfide and Benzyl disulfide.

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (98.6%)

Acute toxicity (Oral) - Category 4

安全データ

F: 13
wgk: 3
tsca: TSCA listed
rtecs: SS6825000
ridadr: UN 3335
hs_code: 29093090
risk_code: 36/37/38-50/53
化審法: (3)-1124
hazard_code: Xi,N
hazard_note: Irritant
safety_code: 26-37/39-36-61-60
hazard_class: IRRITANT, STENCH
packing_group: III
環境リスク評価: ジフェニルジスルファン(882-33-7)
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

UsesUsed as a reagent in organic synthesis; [Merck Index] Used as a flavoring agent; [FDA]

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationDisulfide, diphenyl: ACTIVE

応用分野 · 3 件

用途スルフェニル化試薬、シクロヘキサノン類の脱水素芳香族化試薬(有機化合物辞典 (1985) )

天然物の起源Naturally occurring phytoalexin-like substan

使用Diphenyl disulfide is one of the most popular organic disulfides used in organic synthesis. It is used as a reagent for the α-phenylsulfenylation of carbonyl compounds. It participates in hydrothiolation of alkynes via amine-mediated single electron transfer mechanism. It is the hydrolysis product of dyfonate.

調製方法 · 2 件

製造方法By heating and passing a stream of air over an ammoniacal solution of thiophenol.

純化方法Crystallise the disulfide from MeOH. [Alberti et al. J Am Chem Soc 108 3024 1986]. Also crystallise it repeatedly from hot Et2O, then dry it in a vacuum at 30o over P2O5, fuse it under N2 and re-dry it; the whole procedure being repeated, with a final drying under a vacuum for 24hours. Alternatively, recrystallise it from hexane/EtOH solution. [Burkey & Griller J Am Chem Soc 107 246 1985, Beilstein 6 H 323, 6 IV 1560.]