2-Thiophenesulfonylchloride, 5-chloro-4-nitro-
- 中文别名：5-氯-4-硝基噻吩-2-磺酰氯
- 中文释义：5-氯-4-硝基噻吩-2-磺酰氯;5-氯-4-硝基噻酚-2-磺酰氯;2-氯-3-硝基噻吩-5-磺酰氯
- 英文别名：5-CHLORO-4-NITROTHIOPHENE-2-SULFONYL CHLORIDE;
5-chloro-4-nitro-thiophene-2-sulfonyl chloride;
2-chloro-3-nitrothiophene-5-sulphonyl chloride;
5-chloro-4-nitro-2-thiophenesulfonyl chloride;
5-Chlor-4-nitro-thiophen-2-sulfonylchlorid;
5-chloro-4-nitro-2-thienylsulfonyl chloride;
chloro(5-chloro-4-nitro(2-thienyl))sulfone;
5-chloro-4-nitro-thien-2-ylsulfonyl chloride;
2-chlorosulphonyl-4-nitro-5-chlorothiophene
- CAS No.：58457-24-2
- 分子式：C4HCl2NO4S2
- 分子量：262.09
- 精确分子量：260.87200
- PSA：116.58000
- MDL：MFCD00067978
- InChI：InChI=1/C4HCl2NO4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H
- 分子结构式：
物化性质
- 外观与性状：
- 奶油色的或橙色粉末
- 密度：
- 1.88g/cm3
- 熔点：
- 51 °C
- 沸点：
- 398.4ºC at 760mmHg
- 闪点：
- 194.8ºC
- 折射率：
- 1.627
- 存储条件/存储方法：
在干性气体保护下，贮藏在密闭容器内，在干燥，阴凉处保存
- 稳定性相关：
避免接触水，氧化物，碱
- 其它信息：
1. 性状：奶油色或桔黄色粉末
2. 密度（g/cm3,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：52-54
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：未确定
9. 比旋光度（º）：未确定
10. 自燃点或引燃温度（ºC）：未确定
11. 蒸气压（kPa,25ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：未确定
13. 燃烧热（KJ/mol）：未确定
14. 临界温度（ºC）：未确定
15. 临界压力（KPa）：未确定
16. 油水（辛醇/水）分配系数的对数值：未确定
17. 爆炸上限（%,V/V）：未确定
18. 爆炸下限（%,V/V）：未确定
19. 溶解性：水：反应
安全信息
- 外观与性状：
- 奶油色的或橙色粉末
- 密度：
- 1.88g/cm3
- 熔点：
- 51 °C
- 沸点：
- 398.4ºC at 760mmHg
- 闪点：
- 194.8ºC
- 折射率：
- 1.627
- 存储条件/存储方法：
在干性气体保护下，贮藏在密闭容器内，在干燥，阴凉处保存
- 稳定性相关：
避免接触水，氧化物，碱
- 其它信息：
1. 性状：奶油色或桔黄色粉末
2. 密度（g/cm3,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：52-54
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：未确定
9. 比旋光度（º）：未确定
10. 自燃点或引燃温度（ºC）：未确定
11. 蒸气压（kPa,25ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：未确定
13. 燃烧热（KJ/mol）：未确定
14. 临界温度（ºC）：未确定
15. 临界压力（KPa）：未确定
16. 油水（辛醇/水）分配系数的对数值：未确定
17. 爆炸上限（%,V/V）：未确定
18. 爆炸下限（%,V/V）：未确定
19. 溶解性：水：反应
毒理性
- 生态数据：
对水是稍微危害的，若无政府许可，勿将材料排入周围环境
MSDS
| Name: | 5-Chloro-4-nitrothiophene-2-sulfonyl chloride 97% Material Safety Data Sheet |
| Synonym: | |
| CAS: | 58457-24-2 |
Section 1 - Chemical Product MSDS Name:5-Chloro-4-nitrothiophene-2-sulfonyl chloride 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 58457-24-2 | 5-Chloro-4-nitrothiophene-2-sulfonyl c | 97% | unlisted |
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.
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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 58457-24-2: 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: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 52 - 54 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: C4HCl2NO4S2
Molecular Weight: 262
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 58457-24-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Chloro-4-nitrothiophene-2-sulfonyl chloride - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III
Section 15 - REGULATORY INFORMATION
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 58457-24-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 58457-24-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 58457-24-2 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
计算化学数据
1.疏水参数计算参考值（XlogP）:2.7
2.氢键供体数量:0
3.氢键受体数量:5
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积117
7.重原子数量:13
8.表面电荷:0
9.复杂度:307
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
