基本情報
- CAS
127-63-9- 標準SMILES
O=S(=O)(c1ccccc1)c1ccccc1- InChIKey
KZTYYGOKRVBIMI-UHFFFAOYSA-N- 分子式
- C12H10O2S
- 平均分子量
- 218.27 g/mol
- 単同位体質量
- 218.04015056
概要
Diphenyl sulfone is a sulfone compound having two S-phenyl substituents. It has been found in plants like Gnidia glauca and Dioscorea bulbifera. It has a role as a plant metabolite.
名称と識別子
- 優先名称
- Diphenyl sulfone
- IUPAC
- benzenesulfonylbenzene
- 現地名
- ジフェニル スルホン
- 英語名
- Diphenyl sulfone
- 分子式
- C12H10O2S
- 分子量
- 218.27
名称と別名
Diphenyl sulfone127-63-9Phenyl sulfoneDIPHENYLSULFONESulfobenzideBenzene, 1,1'-sulfonylbis-Diphenyl sulphonePhenyl sulphonebenzenesulfonylbenzene1,1'-sulfonyldibenzeneSulfone, diphenyl1,1'-Sulfonylbisbenzene
名称をさらに表示
ジフェニル スルホンスルホベンジドスルホニルビスベンゼンフェニルスルホン1,1'-スルホニルビスベンゼンビス(フェニル)スルホンジフェニルスルホンフェニル(フェニル)スルホンジフェニルスルホン標準品CS_N-13019-1G_フェニルスルホンジフェニルスルホン, 99+%Sulfonyldibenzenes-97s-127'LGC' (1617)Diphenyl-sulfo
DifenylsulfonDifenylsulfon [Czech]Caswell No. 399DNSC 6780NSC 627706DTXSID6041892EINECS 204-853-1V25W2CFS3M
データベース識別子
- CAS
127-63-9- PubChem CID
- 31386
- DTXSID
DTXSID6041892- ChEMBL
CHEMBL263327- ChEBI
CHEBI:78360- UNII
- V25W2CFS3M
- EC Number
- 204-853-1
- Nikkaji
- J5.398H
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 42.5 Ų
- 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
- 2
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 253
実験および物理化学的性質
Chemical ClassesIndustrial compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesPesticides -> Other Insecticides
LogP2.41
Vapor Pressure0.0000153 [mmHg]
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description
Dry Powder; Large Crystals
White solid; [Merck Index] Fine faintly brown crystals; [MSDSonline]
物理化学的性質
- 融点
- 123 · 123-129 °C (lit.)
- 沸点
- 379 °C · 379 °C (lit.)
- 比重(密度)
- 1.36 · 1.36
- 蒸気圧
- 0.001 Pa · 0.001Pa at 50℃
- 屈折率
- 1.52 · 1.5200 (estimate)
- 闪点
- 184 °C · 184°C
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- 14 mg/l · >14mg/l
- 外見
- 結晶性粉末
- 色
- 白い
- 水溶解度
- 不溶性
- Merck
- 14 · 14,3332
- BRN
- 1910573 · 1910573
- 主な用途
- 農業環境
- InChI
- 1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
- InChIKey
- KZTYYGOKRVBIMI-UHFFFAOYSA-N
- SMILES
- O=S(=O)(c1ccccc1)c2ccccc2
- LogP
- 2.61 · 2.61
- CAS データベース
- 127 · 127-63-9(CAS DataBase Reference)
- NISTの化学物質情報
- Diphenyl sulfone(127-63-9)
- EPAの化学物質情報
- Diphenylsulfone (127-63-9)
化学的性質
化学的特性Diphenyl sulfone is a sulfone compound having two S-phenyl substituents. It is a crystalline powder that is soluble in organic solvents. It has been found in plants like Gnidia glauca and Dioscorea bulbifera. It has a role as a plant metabolite. Diphenyl sulfone is formed under certain conditions by the action of aqueous sulfuric acid on benzene. It is used as a high temperature solvent. Such high temperature solvents are useful for processing highly rigid polymers, e.g., PEEK, which only dissolve in very hot solvents.
化学性质沸点379℃，融点126?128℃
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
This chemical does not meet GHS hazard criteria for 21.9% (37 of 169) of reports.
Warning
H302 (77.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 169 reports by companies from 10 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'-sulfonylbis-
Benzene, 1,1'-sulfonylbis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-sulfonylbis- 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: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13714
Diphenyl sulphone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (77.5%)
毒性情報
Toxicity DataLC (rat) > 1,700 mg/m3/8h
RAIS Toxicity Values
0.0008
SCREEN Current
0.008
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
Diphenyl Sulfone
PDF Document
Inadequate information to assess carcinogenic potential
2009
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
5.10e+01
6.60e+02
1.50e+01
3e-05
3.60e-02
8.00e-04
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
1.50e+02
2.00e+03
4.50e+01
3e-05
8.00e-04
Volatile
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SX2400000
- 毒性
- LD50 orally in rats: >2 g/kg, Residue Rev. 36, 240 (1971)
- hs_code
- 29309070
- risk_code
- 36/37/38
- 化審法
- (3)-2158
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
Uses
Used as ovicide and acaricide; [Merck Index]
Farming (Pesticides) [Category: Industry]
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesOther
Industry UsesIntermediate
General Manufacturing Information
Plastics Product Manufacturing
Benzene, 1,1'-sulfonylbis-: ACTIVE
応用分野
用途エポキシ樹脂硬化剤，染色助剤，発泡剤，溶剤，熱可塑性樹脂原料など
説明Diphenyl sulfone (DPS) serves as a specialized polymerization solvent for polyetheretherketone (PEEK) copolymers and their composites. The high boiling point and thermal stability of DPS allow the polymerization reaction to proceed smoothly at higher temperatures (160–320 °C), resulting in high-molecular-weight polymers. The resulting PEEK polymers can be used as implant materials in orthopedic spinal surgery[1].
使用Diphenyl sulfone was identified as the preferred solvent. Diphenyl sulfone is chemically and thermally stable as compared to dimethyl sulfoxide.
調製方法
製造方法Diphenyl sulfone is produced by the sulfonation of benzene with sulfuric acid and oleum. It is also produced from benzenesulfonyl chloride and benzene.
合成方法塩化ベンゼンスルホニルを用いたベンゼンへのFriedel-Crafts反応
純化方法Crystallise the sulfone from diethyl ether. It has been purified by zone melting. [Beilstein 6 H 300, 6 IV 1490.]
上流・下流製品情報
上流原料
下流製品
サプライヤー100 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
補足説明
定義ChEBI: Diphenyl sulfone is a sulfone compound having two S-phenyl substituents. It has been found in plants like Gnidia glauca and Dioscorea bulbifera. It has a role as a plant metabolite
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