1(3H)-Isobenzofuranone,6-nitro-
- 中文别名：6-硝基苯酞
- 中文释义：6-硝基苯酞;6-硝基-1,3-二氢异苯并呋喃-1-酮;6-硝基四氯苯酞;6-硝苯酞酯
- 英文别名：6-Nitrophthalide;
6-nitro-3H-2-benzofuran-1-one
- CAS No.：610-93-5
- 分子式：
C8H5NO4
- 分子量：179.13
- 精确分子量：179.02200
- PSA：72.12000
- MDL：MFCD00033529
- InChI：InChI=1/C8H5NO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3H,4H2
- 分子结构式：
物化性质
- 外观与性状：
- 淡黄色结晶粉末
- 密度：
- 1.519g/cm3
- 熔点：
- 140-145 °C(lit.)
- 沸点：
- 413.4ºC at 760 mmHg
- 闪点：
- 229.6ºC
- 折射率：
- 1.632
- 存储条件/存储方法：
贮存：
将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。
- 稳定性相关：
性质与稳定性：
常温常压下，或不分解产物。
安全信息
- 外观与性状：
- 淡黄色结晶粉末
- 密度：
- 1.519g/cm3
- 熔点：
- 140-145 °C(lit.)
- 沸点：
- 413.4ºC at 760 mmHg
- 闪点：
- 229.6ºC
- 折射率：
- 1.632
- 存储条件/存储方法：
贮存：
将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。
- 稳定性相关：
性质与稳定性：
常温常压下，或不分解产物。
毒理性
- 生态数据：
三、生态学数据：
1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。
MSDS
| Name: | 6-Nitrophthalide 97% Material Safety Data Sheet |
| Synonym: | |
| CAS: | 610-93-5 |
Section 1 - Chemical Product MSDS Name:6-Nitrophthalide 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 610-93-5 | 6-Nitrophthalide | 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.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation.
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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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.
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# 610-93-5: 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: 140 - 145 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:
Molecular Weight: 179.13
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 610-93-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Nitrophthalide - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
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# 610-93-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 610-93-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 610-93-5 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：2932209090
- 概述：
- 2932209090. 其他内酯. 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：
- 2932209090. other lactones. 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
五、分子性质数据：
1、 摩尔折射率：42.09
2、 摩尔体积（m3/mol）：117.9
3、 等张比容（90.2K）：335.0
4、 表面张力（dyne/cm）：65.1
5、 极化率（10-24cm3）：16.68
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:4
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72.1
7.重原子数量:13
8.表面电荷:0
9.复杂度:247
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
