2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮 基本信息
CAS号 52727-44-3 分子式 C10H8N2O2
分子量 188.18300 精确质量  188.05900
PSA  44.12000 LogP  0.78890

基本信息 展开↓

CAS号:
52727-44-3
3D弹球模型:
立即前往扯扯看
分子式:
C10H8N2O2
分子量:
188.18300
中文名称:
2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮
英文名称:
2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
中文别名:
2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮;
2,3-二氢-5H-恶唑并[2,3-B]喹唑啉-5-酮;
2,3-二氢-5H-噁唑并[2,3-B]喹唑啉-5-酮
英文别名:
2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one;
2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one;
2H-oxazolo[2,3-b]quinazolin-5(3H)-one;
2,3-dihydro-5H-[1,3]oxazolo[2,3-b]quinazolin-5-one
精确分子量/精确质量:
188.05900
极性分子表面积/PSA:
44.12000
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:
MFCD00209576
PubChem:
24866828
InChI:
InChI=1/C10H8N2O2/c13-9-7-3-1-2-4-8(7)11-10-12(9)5-6-14-10/h1-4H,5-6H2

物化性质展开↓

密度:
1.47g/cm3
熔点:
160-163ºC(lit.)
沸点:
330ºC at 760 mmHg
闪点:
153.4ºC
折射率:
1.719
存储条件/存储方法:

 

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):160-163

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息

海关代码:
2934999090
WGK_Germany:
3
德国有关水污染物质的分类清单

合成路线查看所有的合成路线

  • 77093-92-6

    2-[3-(2-氯乙基)脲基]苯甲酸甲酯

  • ~93%

  • 52727-44-3

    2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮

  • 13908-44-6

    2-<3-(2-chloroethyl)ureido>benzoic acid

  • ~92%

  • 52727-44-3

    2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮

毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

    Date Updated: 12/FEB/2006
    Version 1.2
    Regulation (EC) No 1907/2006
    ________________________________________________________________________
    1 - Product and Company Information
    ________________________________________________________________________
    Product Name        2,3-DIHYDRO-5H-OXAZOLO(2,3-B)QUINAZOLIN-    
    5-ONE, 95%
    Product Number        428981    
    Company
    Century Ba-Shi Building 22A-B,
    200020 Shanghai
    Technical Phone #        86-21-61415566    
    Fax 86-21-61415567
    E-mail Address
    ________________________________________________________________________
    2 - Hazards Identification
    ________________________________________________________________________
    ________________________________________________________________________
    3 - Composition/Information on Ingredients
    ________________________________________________________________________
    Product Name        CAS #        EC no        Annex I    
    Index Number
    2,3-DIHYDRO-5H-OXAZOLO(2,3-B)QUINA 52727-44-3 None        None    
    ZOLIN-5-ONE, 95
    Formula        C10H8N2O2    
    Molecular Weight 188,1900 AMU
    ________________________________________________________________________
    4 - First Aid Measures
    ________________________________________________________________________
    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER SKIN CONTACT
    In case of contact, immediately wash skin with soap and copious
    amounts of water.
    AFTER EYE CONTACT
    In case of contact, immediately flush eyes with copious amounts
    of water for at least 15 minutes.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.
    ________________________________________________________________________
    5 - Fire Fighting Measures
    ________________________________________________________________________
    EXTINGUISHING MEDIA
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    appropriate foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.
    ________________________________________________________________________
    6 - Accidental Release Measures
    ________________________________________________________________________
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear respirator, chemical safety goggles, rubber boots, and
    heavy rubber gloves.
    METHODS FOR CLEANING UP
    Sweep up, place in a bag and hold for waste disposal. Avoid
    raising dust. Ventilate area and wash spill site after material
    pickup is complete.
    ________________________________________________________________________
    7 - Handling and Storage
    ________________________________________________________________________
    HANDLING
    Directions for Safe Handling: Avoid inhalation. Avoid contact
    with eyes, skin, and clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed. Store in a cool dry
    place.
    ________________________________________________________________________
    8 - Exposure Controls / Personal Protection
    ________________________________________________________________________
    ENGINEERING CONTROLS
    Safety shower and eye bath. Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash contaminated clothing before reuse. Wash thoroughly after
    handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Respiratory protection is not required. Where
    protection is desired, use multi-purpose combination (US) or type
    ABEK (EN 14387) respirator cartridges.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.
    ________________________________________________________________________
    9 - Physical and Chemical Properties
    ________________________________________________________________________
    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        160,000. - 163,000 °    
    C.
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    
    ________________________________________________________________________
    10 - Stability and Reactivity
    ________________________________________________________________________
    STABILITY
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Nitrogen oxides.
    ________________________________________________________________________
    11 - Toxicological Information
    ________________________________________________________________________
    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    ROUTE OF EXPOSURE
    Skin Contact: May cause skin irritation.
    Eye Contact: May cause eye irritation.
    Inhalation: Material may be irritating to mucous membranes and
    upper respiratory tract.
    Multiple Routes: May be harmful by inhalation, ingestion, or
    skin absorption.
    ________________________________________________________________________
    12 - Ecological Information
    ________________________________________________________________________
    No data available.
    ________________________________________________________________________
    13 - Disposal Considerations
    ________________________________________________________________________
    SUBSTANCE DISPOSAL
    Dissolve or mix the material with a combustible solvent and burn
    in a chemical incinerator equipped with an afterburner and
    scrubber. Observe all federal, state, and local environmental
    regulations.
    ________________________________________________________________________
    14 - Transport Information
    ________________________________________________________________________
    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.
    ________________________________________________________________________
    15 - Regulatory Information
    ________________________________________________________________________
    Caution: Substance not yet fully tested (EU).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    Self-Classification
    ________________________________________________________________________
    16 - Other Information
    ________________________________________________________________________
    WARRANTY
    The above information is believed to be correct but does not
    purport to be all inclusive and shall be used only as a guide. The
    information in this document is based on the present state of our
    knowledge and is applicable to the product with regard to
    appropriate safety precautions. It does not represent any
    shall not be held liable for any damage resulting from handling or
    from contact with the above product. See reverse side of invoice
    or packing slip for additional terms and conditions of sale.
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.


模块 15 - 法规信息
N/A


模块16 - 其他信息
N/A

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:50.23

2、   摩尔体积(cm3/mol):127.2

3、   等张比容(90.2K):354.7

4、   表面张力(dyne/cm):60.3

5、   极化率:19.91

6、   介电常数:未确定

计算化学数据


1.疏水参数计算参考值(XlogP):1.1

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:0

5.互变异构体数量:无

6.拓扑分子极性表面积41.9

7.重原子数量:14

8.表面电荷:0

9.复杂度:301

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

上下游相关产品

上游产品

更多
  • 77093-92-6

    2-[3-(2-氯乙基)脲基]苯甲酸甲酯

  • 5081-87-8

    3-(2-氯乙基)-2,4(1H,3H)-喹唑啉二酮

  • 13908-44-6

    2-<3-(2-chloroethyl)ureido>benzoic acid

  • 77189-70-9

    2-[3-(2-cloroethyl)ureido]benzonitrile

  • 77093-94-8

    2-(2-chloroethylamino)-4H-[3,1]benzoxazin-4-one hydrochloride

下游产品

  • 5081-87-8

    3-(2-氯乙基)-2,4(1H,3H)-喹唑啉二酮

  • 74050-98-9

    凯他色林

  • 77093-96-0

    3-(2-溴乙基)-1H-喹唑啉-2,4-二酮

  • 77093-97-1

    3-(2-Methoxyethyl)quinazoline-2,4(1H,3H)-dione

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