CAS 17697-12-0 Phenylseleninyl benzeneseleninate (HCID 87253)

名称と識別子

優先名称: Phenylseleninyl benzeneseleninate
IUPAC: phenylseleninyl benzeneseleninate
現地名: ビスベンゼンセレニン酸無水物
英語名: Benzeneseleninic anhydride
分子式: C12H10O3Se2
分子量: 360.13

名称と別名

17697-12-0phenylseleninyl benzeneseleninateBenzeneselenic anhydride69M675B633DTXSID10170228RefChem:563678DTXCID3092719241-701-3Benzeneseleninic anhydrideBenzeneseleninic acid anhydridePhenylseleninic AnhydrideBenzeneseleninic acid, phenylseleninyl ester

名称をさらに表示

1,3-ジフェニル-2-オキサ-1,3-ジセレナ(IV)プロパン-1,3-ジオン二(ベンゼンセレニン酸)無水物ビスベンゼンセレニン酸無水物ビス(ベンゼンセレニン酸)無水物無水ベンゼンセレン酸水ベンゼンセレニン酸無水ベンゼンセレノン酸ベンゼンセレニン酸無水物ビス(フェニルセレニニル)エーテルベンゼンセレニニルベンゼンセレニナートPHENYLSELENIC ANHYDRIDEBenzene Selenenic AnhydrideBisbenzeneseleninic anhydrideBis(benzeneseleninic)anhydrideBenzeneseleninic anhydride,98%Di(benzeneseleninic acid)anhydride

MFCD00001991Bis(phenylseleninic) anhydridePhenylseleninic Anhydride;C12H10O3Se2Benzeneseleninic acid, anhydrideEINECS 241-701-3BENZENESELENINICANHYDRIDESCHEMBL1165959

データベース識別子

CAS: 17697-12-0
PubChem CID: 87253
DTXSID: DTXSID10170228
UNII: 69M675B633
EC Number: 241-701-3
Nikkaji: J287.128I

物性

構造計算による物性

極性表面積: 43.4 Å²
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: 17
形式電荷: 0
複雑度: 253

物理化学的性質

融点: 165 · 165-170 °C (lit.)
沸点: 184.2 · 184.2±23.0 °C(Predicted)
貯蔵温度: RT, stored under nitrogen
外見: 個体
BRN: 2332406 · 2332406
InChI: InChI=1S/C12H10O3Se2/c13-16(11-7-3-1-4-8-11)15-17(14)12-9-5-2-6-10-12/h1-10H
InChIKey: FHPZOWOEILXXBD-UHFFFAOYSA-N
SMILES: C1([Se](O[Se](C2=CC=CC=C2)=O)=O)=CC=CC=C1
CAS データベース: 17697 · 17697-12-0(CAS DataBase Reference)

化学的性質

化学的特性WHITE TO LIGHT BEIGE POWDER

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationBenzeneseleninic acid, anhydride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；STOT RE 2 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

法規制情報

Regulatory InformationBenzeneseleninic acid, anhydride: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 3-10-21
wgk: 3
ridadr: UN 3283 6.1/PG 2
PRTR法: 1-242
hs_code: 29310099
risk_code: 23/25-33-50/53
安衛法: 57,57-2
hazard_code: T,N
safety_code: 20/21-28-45-60-61
hazard_class: 6.1
packing_group: III
毒劇物取締法: I
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用Benzeneseleninic acid anhydride was used to oxidize hydrazines to afford azo-compounds.

一般的な説明Oxidation of phenols by benzeneseleninic acid anhydride yields ortho-quinones. Benzeneseleninic anhydride acts as a mild oxidant for the conversion of benzylic hydrocarbons into aldehydes or ketones.

調製方法 · 1 件

純化方法When the anhydride is recrystallised from *C6H6 it has m 124-126o, but when this is heated at 140o/1hour in a vacuum or at 90o/2hours it has m 164-165o and gives a solid m 124-126o when then recrystallised from *C6H6. Both depress the melting point of the acid PhSeO2H. If the high melting anhydride is dissolved in *C6H6 and seeded with the high melting anhydride, the high melting anhydride crystallises out. It readily absorbs H2O to form the acid (PhSeO2H, m 122-124o). Because of this the commercial anhydride could contain up to 30% of the acid. It is best purified by converting to the HNO3 complex (m 112o) and heating this in vacuo at 120o/72hours to give the anhydride as a white powder m 164-165o. Alternatively heat the anhydride in vacuo at 120o/72 hours until the IR shows no OH band. [Ayvrey et al. J Chem Soc 2089 1962, Barton et al. J Chem Soc, Perkin Trans 1 567 1977, Beilstein 11 H 422, 11 I 110, 11 III 716, 11 IV 708.] TOXIC solid.