2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮

• 常用名: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮
• 英文名: 2H-OXAZOLO[2,3-B]QUINAZOLIN-5(3H)-ONE
• CAS号: 52727-44-3
• 分子量: 188.18300
• 密度: 1.47g/cm3
• 沸点: 330ºC at 760 mmHg
• 分子式: C₁₀H₈N₂O₂
• 熔点: 160-163ºC(lit.)
• 闪点: 153.4ºC

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮名称

本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。

• 中文名: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮
• 英文名: 2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
• 中文别名: 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

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮物理化学性质

本表包含该物质理化参数，如熔点、沸点、密度、溶解度、旋光性等理化指标，无数据项标记为N/A。

• 密度: 1.47g/cm3
• 沸点: 330ºC at 760 mmHg
• 熔点: 160-163ºC(lit.)
• 分子式: C₁₀H₈N₂O₂
• 分子量: 188.18300
• 闪点: 153.4ºC
• 精确质量: 188.05900
• PSA: 44.12000
• LogP: 0.78890
• InChIKey: QBEBJBXQJGORQQ-UHFFFAOYSA-N
• SMILES: O=c1c2ccccc2nc2n1CCO2
• 折射率: 1.719
• 储存条件:

  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:

  遵照规定使用和储存则不会分解。

• 分子结构:

  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:

  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

• 更多:

  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

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮MSDS

本表为化学品安全说明书MSDS数据，包含危险标识、成分、急救、消防、泄漏处置、操作储存等安全信息。

Date Updated: 12/FEB/2006
Version 1.2
Regulation (EC) No 1907/2006
________________________________________________________________________
1 - Product and Company Information
________________________________________________________________________

Product Name2,3-DIHYDRO-5H-OXAZOLO(2,3-B)QUINAZOLIN-
5-ONE, 95%
Product Number428981
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 NameCAS #EC noAnnex I
Index Number
2,3-DIHYDRO-5H-OXAZOLO(2,3-B)QUINA 52727-44-3 NoneNone
ZOLIN-5-ONE, 95
FormulaC10H8N2O2
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 RangeN/A
MP/MP Range160,000. - 163,000 °
C.
Flash PointN/A
FlammabilityN/A
Autoignition TempN/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion LimitsN/A
Vapor PressureN/A
Partition Coefficient N/A
ViscosityN/A
Vapor DensityN/A
Saturated Vapor Conc. N/A
Evaporation RateN/A
Bulk DensityN/A
Decomposition Temp.N/A
Solvent ContentN/A
Water ContentN/A
Surface TensionN/A
ConductivityN/A
Miscellaneous DataN/A
SolubilityN/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.

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模块 15 - 法规信息
N/A

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模块16 - 其他信息
N/A

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮毒性和生态

本表汇总该化学品毒理试验数据、急性慢性毒性以及环境生态危害相关参数。

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮生态学数据:

该物质对环境可能有危害，对水体应给予特别注意。

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮安全信息

本表记录该化合物安全警示、防护措施、禁配物、处置方式等安全相关参考信息。

• WGK德国: 3
• 海关编码: 2934999090

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮海关

本表展示该化学品海关编码、关税、监管条件等进出口海关参考数据。

• 海关编码: 2934999090
• 中文概述: 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
• Summary: 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮靶点实验

查看更多实验

本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

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2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮英文别名

本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。

• 2,3-dihydro-5H-[1,3]oxazolo[2,3-b]quinazolin-5-one
• MFCD00209576
• 2H-oxazolo[2,3-b]quinazolin-5(3H)-one
• 2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮常见问题

本部分为该化合物相关常见问答，包含基础参数、性状、储存条件等高频咨询问题与对应答案。

Q: 52727-44-3的中文名称是什么？

A: 52727-44-3的中文名称为2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮。

Q: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮的分子式是什么？

A: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮分子式为C10H8N2O2。

Q: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮有哪些英文别名？

A: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮英文别名有：2,3-dihydro-5H-[1,3]oxazolo[2,3-b]quinazolin-5-one、MFCD00209576、2H-oxazolo[2,3-b]quinazolin-5(3H)-one、2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one。

Q: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮的LogP（油水分配系数）是多少？

A: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮LogP（油水分配系数）为0.78890。

Q: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮有哪些中文别名？

A: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮中文别名有：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。

Q: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮的熔点是多少？

A: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮熔点为160-163ºC(lit.)。

Q: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮的储存条件是什么？

A: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮储存条件：室温。

Q: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮的英文名称是什么？

A: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮英文名称为2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one。

Q: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮的上游原料有哪些？

A: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮相关上游原料（CAS）：77093-92-6;5081-87-8;13908-44-6;77189-70-9;77093-94-8;77093-93-7;1885-29-6;1943-83-5;28144-70-9。

Q: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮的分子量是多少？

A: 2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮分子量为188.18300。

2,3-二氢-5H-噁唑并[2,3-b]喹唑啉-5-酮生产厂家

本表列出该化合物相关生产厂商、供应商信息，包含厂家名称、产品供应相关参考信息。

上海阿拉丁生化科技股份有限公司

上海化源世纪贸易有限公司