苯亚硒酸酐

苯亚硒酸酐 基本信息
CAS号 17697-12-0 分子式 C12H10O3Se2
分子量 360.12600 精确质量 　361.89600
PSA 　43.37000 LogP 　0.65480
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
17697-12-0
3D弹球模型：
立即前往扯扯看
分子式：
C12H10O3Se2
分子量：
360.12600
中文名称：
苯亚硒酸酐
英文名称：
phenylseleninyl benzeneseleninate
中文别名：
苯亚硒酸酐;
Hematoporphyrin IX dihydrochloride;
Haematopophyrin dihydrochloride;
Hematoporphyrin hydrochloride;
3,3'-[7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl]dipropanoic acid dihydrochloride;
3,3'-{7,12-bis[(1R)-1-hydroxyethyl]-3,8,13,17-tetramethylporphyrin-2,18-diyl}dipropanoate;
Haematoporphyrin dihydrochloride;
4-methyl-2-oxo-2H-chromen-7-yl butanoate;
4-Methylumbelliferyl butyrate;
methyl (2S)-2-chloropropanoate;
2-chloro-2-methylpropanoate;
Mehyl 2-chloropropionate;
Methyl 2-chloropropionate;
Natrium-3-mercaptopropansulfonat;
3-mercapto-1-propysulfonate, sodium salt;
sodium 3-sulfanylpropane-1-sulfonate;
3-mercapto-1-propanesulfonic acid sodium salt;
Zirconium tetrakis(acetylacetonate);
Zirconium(IV)acetylacetonate;
Zirconium-2,4-pentanedionate;
(+)-dibenzoyl-(D)-tartaric acid;
L-Arginine alpha-Ketoglutarate;
L-Arginine Α-Ketoglutarate;
L-Arginine Alpha-Ketoglutatare;
L-Arginine alpha-Ketoglutarate 1:1;
Dicyclohexano-18-crown-6 (mixture isomeres);
D-Gluconic acid, 2,4:2',4'-O-(oxydistibylidyne)bis-, Sb,Sb'-d
英文别名：
phenylseleninyl benzeneseleninate;
Bis(phenylseleninic) anhydride;
benzeneselenic anhydride;
phenylseleninic anhydride;
benzeneselenic acid anhydride;
Benzeneseleninic acid anhydride;
Benzeneseleninic anhydride;
[PhSe(O)]2O
精确分子量/精确质量：
361.89600
极性分子表面积/PSA：
43.37000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00001991
EINECS：
241-701-3
BRN：
2332406
InChI：
InChI=1/C12H10O3Se2/c13-16(11-7-3-1-4-8-11)15-17(14)12-9-5-2-6-10-12/h1-10H

生产制备方法及用途展开↓

制备方法

1. 注意有剧毒,应在通风厨中和戴上橡皮手套小心地操作。 在40毫升四氯化碳中,加纯的0.496克二苯联硒,在一5℃让共吸收2.92摩尔臭氧。在减压下蒸出溶剂,得0.57克苯亚硒酸醉, 也可将苯亚硒酸与理论量之水一起,在140℃真空中加热1小时,或在90℃真空中加热2小时,得粗产物。

合成制备方法

   1. 注意有剧毒，应在通风厨中和戴上橡皮手套小心地操作。
    在40毫升四氯化碳中，加纯的0.496克二苯联硒，在一5℃让共吸收2.92摩尔臭氧。在减压下蒸出溶剂，得0.57克苯亚硒酸醉，
    也可将苯亚硒酸与理论量之水一起，在140℃真空中加热1小时，或在90℃真空中加热2小时，得粗产物。

用途简介

氧化剂。氧化伯醇成醛,酚成醒,酮脱氢成a一β不饱和伯胺成酮,经胺成亚硝基化合物。也能对酚钠和其它含氮化物进行城化。米化裂解拨基化合物的硫代缩醛、腙、缩氨基脲衍生物成母体醛(酮),氧化二苯甲烷成二苯甲酮等等。

用途

 氧化剂。氧化伯醇成醛，酚成醒，酮脱氢成a一β不饱和伯胺成酮，经胺成亚硝基化合物。也能对酚钠和其它含氮化物进行城化。米化裂解拨基化合物的硫代缩醛、腙、缩氨基脲衍生物成母体醛(酮)，氧化二苯甲烷成二苯甲酮等等。

物化性质展开↓

外观与性状：
白色至淡米色粉末
熔点：
165-170 °C(lit.)
沸点：
184.2ºC at 760 mmHg
闪点：
65.2ºC
蒸汽压：
1.02mmHg at 25°C
存储条件/存储方法：

常温密闭避光，通风干燥惰性气体下

稳定性相关：

1.常温常压下稳定

2.避免的物料：水分/潮湿 氧化物

其它信息：

1.       性状：固体

2.       密度（g/mL,25/4℃）：不确定

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：124-126

5.       沸点（ºC,常压）：不确定

6.       沸点（ºC, 5.2kPa）：不确定

7.       折射率：不确定

8.       闪点（ºC）：不确定

9.       比旋光度（º）：不确定

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：易吸水而被水解成亚硒酸。剧毒。

安全信息展开↓

包装等级：
III
风险类别：
6.1
海关代码：
2916399090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R23/25;R33;R50/53
安全说明：
S20/21-S28-S45-S60-S61
安全标志：
S28:接触皮肤之后，立即使用大量皂液洗涤。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
危险标志：
T:Toxic;N:Dangerousfortheenvironment;

合成路线查看所有的合成路线

  • 6996-92-5

    苯亚硒酸

  • →

  • 17697-12-0

    苯亚硒酸酐

  • 461639-13-4

    461639-13-4

  • →

  • 17697-12-0

    苯亚硒酸酐

  • 1666-13-3

    二苯基二硒醚

  • →

  • 17697-12-0

    苯亚硒酸酐

毒理性展开↓

生态数据：

对水体是极其危害的，即使小量产品不能接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

MSDS 展开↓

Name: Benzeneseleninic anhydride, 98% Material Safety Data Sheet
Synonym: None
CAS: 17697-12-0
Section 1 - Chemical Product MSDS Name: Benzeneseleninic anhydride, 98% Material Safety Data Sheet
Synonym: None
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17697-12-0 BENZENESELENINIC ANHYDRIDE 98 241-701-3
Hazard Symbols: T
Risk Phrases: 23/25 33
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic by inhalation and if swallowed. Danger of cumulative effects.The toxicological properties of this material have not been fully investigated.Moisture sensitive. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
SECTION 4 - FIRST AID MEASURES
Eyes:
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of soap and water.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Avoid contact with skin and eyes. Avoid ingestion and inhalation. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 17697-12-0: United Kingdom, WEL - TWA: (listed as selenium compounds): 0.1 mg TWA (except hydrogen selenide, as Se) United Kingdom, WEL - STEL: (listed as selenium compounds): 0.3 m STEL (except hydrogen selenide, as Se)
United States OSHA: 0.2 mg/m3 TWA (as Se) (listed under Selenium compounds). Belgium - TWA: (listed as selenium compounds): 0.2 mg/m3 VLE (as
Japan: (listed as selenium compounds): 0.1 mg/m3 OEL (except SeH2 SeF6, as Se)
Malaysia: (listed as selenium compounds): 0.2 mg/m3 TWA (as Se)
Netherlands: (listed as selenium compounds): 0.1 mg/m3 MAC (as Se
Spain: (listed as selenium compounds): 0.1 mg/m3 VLA-ED (except hydrogen selenide, as Se) Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: almost white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 170 - 173 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H10O3Se2
Molecular Weight: 360.13
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Bases - oxidizing agents - metals.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, selenium/selenium oxides.
Hazardous Polymerization: Has not been reported.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 17697-12-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
BENZENESELENINIC ANHYDRIDE - Not listed by ACGIH, IARC, or NTP.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA
Shipping Name: SELENIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3283
Packing Group: II IMO
Shipping Name: SELENIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3283
Packing Group: II RID/ADR
Shipping Name: SELENIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3283
Packing group: II
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/25 Toxic by inhalation and if swallowed. R 33 Danger of cumulative effects.
Safety Phrases:
S 20/21 When using do not eat, drink or smoke. S 28A After contact with skin, wash immediately with plenty of water. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 17697-12-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 17697-12-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 17697-12-0 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.
SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2916399090

概述：
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素：
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
摘要/Summary：
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

 

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积43.4

7.重原子数量:17

8.表面电荷:0

9.复杂度:254

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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