2,1,3-Benzoxadiazole-5-carboxylicacid, ethyl ester, 1-oxide
- 中文别名：苯并呋喃-5-甲酸乙酯
- 中文释义：苯并呋喃-5-甲酸乙酯;5-(乙氧基羰基)苯并[c][1,2,5]噁二唑 1-氧化物;苯并呋喃-5-羧酸乙酯
- 英文别名：ETHYL BENZOFUROXAN-5-CARBOXYLATE;
5-(ETHOXYCARBONYL)-2,1,3-BENZOXADIAZOL-1-IUM-1-OLATE;
BUTTPARK 954-24;
5(6)-Ethoxycarbonyl-benzofuroxan;
5-Ethoxycarbonylbenzofuroxan;
1-oxy-benzo[1,2,5]oxadiazole-5-carboxylic acid ethyl ester;
benzofuroxan-5-carboxylic acid ethyl ester
- CAS No.：17348-71-9
- 分子式：C9H8N2O4
- 分子量：208.17
- 精确分子量：208.04800
- PSA：77.79000
- MDL：MFCD00276595
- InChI：The Key: PNSWPHLJTBSRJR-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.45g/cm3
- 熔点：
- 66-67ºC
- 沸点：
- 335.7ºC at 760mmHg
- 闪点：
- 156.8ºC
- 折射率：
- 1.621
- 蒸汽压：
- 0.000118mmHg at 25°C
- 存储条件/存储方法：
常温密闭避光，通风干燥
- 稳定性相关：
常温常压下稳定
避免的物料：水分/潮湿- 其它信息：
1. 性状：不确定
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）：66-67
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：不确定
安全信息
- 密度：
- 1.45g/cm3
- 熔点：
- 66-67ºC
- 沸点：
- 335.7ºC at 760mmHg
- 闪点：
- 156.8ºC
- 折射率：
- 1.621
- 蒸汽压：
- 0.000118mmHg at 25°C
- 存储条件/存储方法：
常温密闭避光，通风干燥
- 稳定性相关：
常温常压下稳定
避免的物料：水分/潮湿- 其它信息：
1. 性状：不确定
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）：66-67
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：不确定
毒理性
- 生态数据：
通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。
MSDS
| Name: | 5-(Ethoxycarbonyl)-2 1 3-benzoxadiazol-1-ium-1-olate 97% Material Safety Data Sheet |
| Synonym: | Ethyl benzofuroxan-5-carboxylat |
| CAS: | 17348-71-9 |
Section 1 - Chemical Product MSDS Name:5-(Ethoxycarbonyl)-2 1 3-benzoxadiazol-1-ium-1-olate 97% Material Safety Data Sheet
Synonym:Ethyl benzofuroxan-5-carboxylat
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 17348-71-9 | 5-(Ethoxycarbonyl)-2,1,3-benzoxadiazol | 97% | unlisted |
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.
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.
Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 17348-71-9: Personal Protective Equipment Eyes: Not available.
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C9H8N2O4
Molecular Weight: 208
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17348-71-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(Ethoxycarbonyl)-2,1,3-benzoxadiazol-1-ium-1-olate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 17348-71-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17348-71-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17348-71-9 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
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
分子结构数据
1、 摩尔折射率：50.22
2、 摩尔体积（m3/mol）：142.6
3、 等张比容（90.2K）：388.2
4、 表面张力（dyne/cm）：54.8
5、 极化率（10-24cm3）：19.91
计算化学数据
1、 氢键供体数量：0
2、 氢键受体数量：5
3、 可旋转化学键数量：3
4、 拓扑分子极性表面积（TPSA）：79.3
5、 重原子数量：15
6、 表面电荷：0
7、 复杂度：248
8、 同位素原子数量：0
9、 确定原子立构中心数量：0
10、 不确定原子立构中心数量：0
11、 确定化学键立构中心数量：0
12、 不确定化学键立构中心数量：0
13、 共价键单元数量：1
