3-氯-3H-2,1-苯并恶-1,1-二氧化物

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 表征图谱

3-氯-3H-2,1-苯并恶-1,1-二氧化物 基本信息

中文名称:
3-氯-3H-2,1-苯并恶-1,1-二氧化物 
中文别名:
ALPHA-氯-ALPHA-羟基-2-甲苯磺酸GAMMA-磺内酯;
3-氯-3H-2,1-苯并噁硫代-1,1-二氧化物 
英文名称:
3H-2,1-Benzoxathiole,3-chloro-, 1,1-dioxide
英文别名:
3-chloro-3H-2,1λ6-benzoxathiole 1,1-dioxide;
3-Chlor-3H-benzo[c][1,2]oxathiol-1,1-dioxid;
3-chloro benzisoxathiole-1,1-dioxide;
3-chloro-3H-benz[c][1,2]oxathiol-1,1-dioxide;
3-chloro-3H-2,1;
3-chloro-3H-benzo[c]1,2-oxathiolene-1,1-dione;
3-Chlor-3H-benz[c][1,2]oxathiol-1,1-dioxid;
3-CHLORO-3H-2,1-BENZOXATHIOLE-1,1-DIOXIDE 
CAS No.:
25595-59-9
分 子 式:
C7H5ClO3S
分 子 量:
204.63
精确分子量:
203.96500
PSA:
51.75000
EINECS:
247-122-2
InChI:
The Key: LNWUNIOANJTGPG-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26S37/S39
分子结构式:
SDS:
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3-氯-3H-2,1-苯并恶-1,1-二氧化物 物化性质

熔点:
114-116 °C(lit.)
存储条件/存储方法:

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

常温常压下稳定

避免接触强氧化剂

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4℃):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:1.445

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,20ºC):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:未确定

3-氯-3H-2,1-苯并恶-1,1-二氧化物 安全信息

海关代码:
2934991000
危险类别码:
36/37/38
安全说明:
26-37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:

3-氯-3H-2,1-苯并恶-1,1-二氧化物 MSDS

Name: Alpha-Chloro-Alpha-Hydroxy-2-Toluene-Sulfonic Acid Gamma-Sultone 99% Material Safety Data Sheet
Synonym: None known
CAS: 25595-59-9
Section 1 - Chemical Product   MSDS Name:Alpha-Chloro-Alpha-Hydroxy-2-Toluene-Sulfonic Acid Gamma-Sultone 99% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
25595-59-9 Alpha-Chloro-Alpha-Hydroxy-2-Toluene-S 99 247-122-2
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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# 25595-59-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: beige
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 114.00 - 116.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H5ClO3S
Molecular Weight: 204.63

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Moisture, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 25595-59-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Alpha-Chloro-Alpha-Hydroxy-2-Toluene-Sulfonic Acid Gamma-Sultone - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 25595-59-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 25595-59-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 25595-59-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-氯-3H-2,1-苯并恶-1,1-二氧化物 海关数据

中国海关编码:2934991000

概述:
2934991000. 磺内酯及磺内酰胺. 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934991000. sultones and sultams. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-氯-3H-2,1-苯并恶-1,1-二氧化物 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:44.70

2   摩尔体积m3/mol125.6

3   等张比容(90.2K):349.2

4   表面张力dyne/cm59.6

5   极化率10-24cm317.72

 

计算化学数据

1.疏水参数计算参考值(XlogP):1.5

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51.8

7.重原子数量:12

8.表面电荷:0

9.复杂度:269

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:1

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

3-氯-3H-2,1-苯并恶-1,1-二氧化物 表征图谱

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