フェニルスルフィド

Diphenyl sulfide

HCID 8766CAS 139-66-2
部分構造検索類似構造を探す

基本情報

標準SMILES
c1ccc(Sc2ccccc2)cc1
InChIKey
LTYMSROWYAPPGB-UHFFFAOYSA-N
分子式
C12H10S
平均分子量
186.27 g/mol
単同位体質量
186.05032132

概要

Diphenyl sulfide is an aryl sulfide that consists of two phenyl groups connected by a sulphur atom.

名称と識別子

優先名称
Diphenyl sulfide
IUPAC
phenylsulfanylbenzene
現地名
フェニルスルフィド
英語名
Diphenyl sulfide
分子式
C12H10S
分子量
186.27

名称と別名

Diphenyl sulfidePhenyl sulfide139-66-2Diphenyl sulphideBenzene, 1,1'-thiobis-Diphenyl thioetherDiphenylmercaptanPhenylthiobenzeneDiphenylthiamethaneDiphenyl monosulfideSulfide, diphenylDiphenylsulphide
名称をさらに表示
フェニルスルフィドジフェニルサルファイドジフェニルスルフィド硫化ジフェニル硫化フェニル硫化ジフェニル硫化フェニル硫化ジフェニル, IN ISOOCTANE (500ΜG/ML)ジフェニルスルフィド, 2000 µg/mL in Tolueneジフェニルスルフィド, 98%(フェニルチオ)ベンゼンフェニル(フェニル)スルフィド(フェニルスルファニル)ベンゼンチオビス(ベンゼン)1,1′-チオビスベンゼンジフェニルチオエーテルビスフェニルスルフィドジフェニル硫黄(IV)チオビスベンゼンdiphenylsulfanephenyl thioetherDiphenyl sulphide 99%1,1’-Thiobis[benzene]C12H10SNSC 4568iphenylsulfideDiphenylsulfid
1,1'-Thiobis(benzene)1,1'-sulfanediyldibenzeneB5P3Y93MNRDTXSID8044383DTXCID6024383NSC-4568CHEBI:38959RefChem:588837

データベース識別子

CAS
139-66-2
PubChem CID
8766
DTXSID
DTXSID8044383
ChEMBL
CHEMBL219876
ChEBI
CHEBI:38959
UNII
B5P3Y93MNR
EC Number
205-371-4
Nikkaji
J2.023K

物性

構造計算による物性

XLogP
4.5
極性表面積
25.3 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
2
重原子数
13

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.45
Physical DescriptionColorless nearly odorless liquid; [Merck Index] Unpleasant odor; [Alfa Aesar MSDS]

物理化学的性質

融点
-40 °C · -40 °C (lit.)
沸点
296 °C · 296 °C (lit.)
比重(密度)
1.113 g/mL · 1.113 g/mL at 20 °C (lit.)
蒸気圧
0.01 hPa · 0.01 hPa (25 °C)
屈折率
20 · n20/D 1.6327(lit.)
闪点
230 °F · >230 °F

化学的性質

化学的特性colourless liquid

化学性质沸点250℃

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 191 reports by companies from 7 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: Benzene, 1,1'-thiobis-

Benzene, 1,1'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-thiobis- 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: 15-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22903

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

Hazards SummaryA severe skin irritant; Causes changes in liver and bladder weights and effects on food intake in 13-week oral studies of rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Methyl phenyl sulfide.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

F
13
wgk
3
tsca
TSCA listed
rtecs
SX2275000
ridadr
UN 3082 9/PG 3
毒性
LD50 orally in rats: 0.49 ml/kg (Smyth)

化学と産業

用途と製造

U.S. Production2023: 70,548 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information · 2 件

Agriculture, Forestry, Fishing and Hunting

Benzene, 1,1'-thiobis-: ACTIVE

応用分野

用途エンジニアリングプラスチック原料

使用Diphenyl Sulfide is an aromatic organosulfur compound. Diphenyl Sulfide is metabolite of the fungicide Edifenphos as well as a potential Impurity of Fenticonazole Nitrate (F279250).

調製方法

純化方法Wash the sulfide with aqueous 5% NaOH, then water. Dry it with CaCl2, then with sodium. The sodium is filtered off, and the diphenyl sulfide is distiiled under reduced pressure. [Beilstein 2 H 299, 6 IV 1488.]

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

補足説明

定義ChEBI: An aryl sulfide that consists of two phenyl groups connected by a sulphur atom.

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