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炭酸ジフェニル
炭酸ジフェニル · ジフェニルカボネト · ジフェニルカーボネ-ト · ジフェニルカルボナート · 炭酸フェニル · 炭酸ジフェニル, 99% · ジフェニルカーボネート · ジフェニル=カルボナート
識別子と物理属性
| CAS No. | 102-09-0 |
|---|---|
| 分子式 | C13H10O3 |
| 平均分子量 | 214.22 g/mol |
| 単同位体質量 | 214.06299418 g/mol |
| SMILES | O=C(Oc1ccccc1)Oc1ccccc1 |
| InChIKey | ROORDVPLFPIABK-UHFFFAOYSA-N |
| PubChem CID | 7597 |
| ChEMBL | CHEMBL3188080 |
| ChEBI | CHEBI:34722 |
| EC No. | 203-005-8 |
| DTXSID | DTXSID3020540 |
| 現地名 | 炭酸ジフェニル |
化学・物理的性質
| XLogP | 3.3 |
|---|---|
| 極性表面積 | 35.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 4 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 193 |
| 物質分類 | Other Classes -> Other Aromatic Compounds |
| SpringerMaterials Properties | Crystal structure |
| LogP（分配係数） | log Kow= 3.28 |
| 密度 | 1.1215 @ 87 °C/4 °C1,3 g/cm3 |
| Color/Form | Lustrous needlesWHITE, CRYSTALLINE SOLID |
| 溶解度 | Practically insol in watersol in hot alc, benzene, ether, glacial acetic acidSOL IN ACETONE, CARBON TETRACHLORIDE, OTHER ORG SOLVENTSクロロホルム（微量）、メタノール（微量）不溶性 |
| 沸点 | 302-306 °C301-302 °C (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| 融点 | 80-81 °C79-82 °C (lit.) |
| 蒸気圧 | 0.0001 [mmHg]0.014Pa at 20℃ |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | White solid[Hawley] White powder[MSDSonline] |
| 屈折率 | 1.5090 (estimate) |
| 引火点 | 168 °C |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | フレークまたは結晶性粉末 |
| 色 | 白い |
| Merck | 14,7278 |
| BRN | 1074863 |
| ヘンリー定数 | 1.2×10-1 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | 安定。強力な酸化剤とは相容れない。可燃性。 |
| InChI | 1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H |
| InChIKey | ROORDVPLFPIABK-UHFFFAOYSA-N |
| SMILES | O=C(Oc1ccccc1)Oc2ccccc2 |
| LogP（分配係数） | 3.21 at 25℃ |
| CAS データベース | 102-09-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Diphenyl carbonate(102-09-0) |
| EPAの化学物質情報 | Carbonic acid, diphenyl ester (102-09-0) |
化学的特性
white solid
化学性质
ホスゲン法，エステル交換法，アルコキシスズ法により製造される．
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 4.3% (11 of 253) of reports.WarningH302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 253 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard] |
|---|---|
| 規制情報 | Chemical: Carbonic acid, diphenyl esterStatus: Active Update: 04-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15019Diphenyl carbonate: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | A tumorigenCauses convulsions in lethal-dose feeding studies of rats[RTECS] An irritantEffects in high-dose animal studies include convulsions[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (94.9%)Acute toxicity (Oral) - Category 4Hazardous to the aquatic environment (Acute) - Category 2 |
| 処分方法 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| 環境中動態 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 3,900(SRC), determined from a structure estimation method(2), indicates that diphenyl carbonate is expected to have slight mobility in soil(SRC). Volatilization of diphenyl carbonate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 8.5X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, volatilization from moist soil surfaces is expected to be attenuated by adsorption(SRC). Diphenyl carbonate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4X10-4 mm Hg(SRC), determined from a fragment constant method(4). |
用途
用途
有機合成原料。
用途
医薬?農薬原料
使用
Estrogenic activity of Diphenyl Carbonate by yeast 2-hybrid assay was studied.
製法・合成法
製造方法
Diphenyl carbonate is prepared by passing phosgene into a solution of phenol in aqueous sodium hydroxide in the presence of an inert solvent such as methylene chloride: The organic phase, which contains the diphenyl carbonate, is separated; the solvent is stripped off and the diphenyl carbonate is purified by distillation. The reaction is accelerated by tertiary amines and is analogous to the interfacial polycondensation of 2,2-bis(4'hydroxyphenyl)propane and phosgene described. Diphenyl carbonate is a white crystalline solid, m.p. 78C.
合成方法
ホスゲン法，エステル交換法，アルコキシスズ法