苯并呋喃-5-甲酸乙酯

苯并呋喃-5-甲酸乙酯 基本信息
CAS号 17348-71-9 分子式 C9H8N2O4
分子量 208.17100 精确质量  208.04800
PSA  77.79000 LogP  1.43300

基本信息 展开↓

CAS号:
17348-71-9
3D弹球模型:
立即前往扯扯看
分子式:
C9H8N2O4
分子量:
208.17100
中文名称:
苯并呋喃-5-甲酸乙酯
英文名称:
ETHYL BENZOFUROXAN-5-CARBOXYLATE
中文别名:
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
精确分子量/精确质量:
208.04800
极性分子表面积/PSA:
77.79000
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:
MFCD00276595
InChI:
The Key: PNSWPHLJTBSRJR-UHFFFAOYSA-N

物化性质展开↓

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

安全信息展开↓

海关代码:
2934999090
安全说明:
S24/25
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 71005-26-0

    4-azido-3-nitro-benzoic acid ethyl ester

  • 17348-71-9

    苯并呋喃-5-甲酸乙酯

  • 76918-64-4

    4-氨基-3-硝基苯甲酸乙酯

  • 17348-71-9

    苯并呋喃-5-甲酸乙酯

毒理性展开↓

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 展开↓

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:50.22

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

上下游相关产品

上游产品

更多
  • 76918-64-4

    4-氨基-3-硝基苯甲酸乙酯

  • 71005-26-0

    4-azido-3-nitro-benzoic acid ethyl ester

下游产品

更多
  • 36389-07-8

    苯并呋咱-5-羧酸乙酯

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便