均三甲苯磺酸

均三甲苯磺酸 基本信息
CAS号 3453-83-6 分子式 C9H12O3S
分子量 200.25500 精确质量  200.05100
PSA  62.75000 LogP  2.93930

基本信息 展开↓

CAS号:
3453-83-6
3D弹球模型:
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分子式:
C9H12O3S
分子量:
200.25500
中文名称:
均三甲苯磺酸
英文名称:
2-Mesitylenesulfonic acid dihydrate
中文别名:
均三甲苯磺酸;
2,4,6-三甲苯基磺酸二水合物;
1,3,5-三甲基-2-苯磺酰氯;
2-甲基磺酰氯;
均三甲苯硫酸二水合物;
2,4,6-三甲苯基磺酸
英文别名:
2-Mesitylenesulfonic acid dihydrate;
2,4,6-Trimethylbenzenesulfonic Acid Dihydrate;
2,4,6-Trimethylbenzenesulfonic acid;
2-MESITYLENESULFONYL CHLORIDE;
2,4,6-trimethylbenzenesulfonic acid;
Mesitylenesulfonic Acid Dihydrate
精确分子量/精确质量:
200.05100
极性分子表面积/PSA:
62.75000
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:
MFCD00149535
EINECS:
222-379-3
PubChem:
24847919
BRN:
1961501
InChI:
InChI=1/C9H12O3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H,10,11,12)

物化性质展开↓

密度:
1.243g/cm3
熔点:
55-57 °C(lit.)
闪点:
>230 °F
折射率:
1.545
存储条件/存储方法:

常温,避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:白色至灰色晶体状粉末

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):55-57

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):>110

9.       比旋光度º):未确定

10.    自燃点或引燃温度(ºC):不适用的

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:不能溶解的

安全信息展开↓

包装等级:
III
风险类别:
8
海关代码:
2904100000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R34
安全说明:
S22-S26-S27-S36/37/39-S45
RTECS号:
DB8930000
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。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C:Corrosive;

合成路线查看所有的合成路线

  • 81292-92-4

    2,4,6-Trimethyl-1-benzolsulfonsaeure-trimethylsilylester

  • ~97%

  • 3453-83-6

    均三甲苯磺酸

  • 36016-40-7

    2,4,6-三甲基苯磺酰羟胺

  • +

  • 75-07-0

    乙醛

  • ~95%

  • 3453-83-6

    均三甲苯磺酸

  • +

  • 75-05-8

    乙腈

  • 108-67-8

    均三甲苯

  • ~74%

  • 3453-83-6

    均三甲苯磺酸

化学图谱

  1. 磺酸荚二水合物红外图谱(IR1)

  2. 磺酸荚二水合物红外图谱(IR2)

  3. 磺酸荚二水合物质谱(MS)

  4. 磺酸荚二水合物核磁图(13CNMR)

  5. 磺酸荚二水合物核磁图(1HNMR)

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毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: 2-Mesitylenesulfonic acid dihydrate 97% Material Safety Data Sheet
Synonym: 2,4,6-Trimethylbenzenesulfonic acid dihydrat
CAS: 3453-83-6
Section 1 - Chemical Product   MSDS Name:2-Mesitylenesulfonic acid dihydrate 97% Material Safety Data Sheet
Synonym:2,4,6-Trimethylbenzenesulfonic acid dihydrat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3453-83-6 2-Mesitylenesulfonic acid dihydrate 97 222-379-3
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Light sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to 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 immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. Do not use mouth-to-mouth resuscitation if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Remove contaminated clothing and wash before reuse. Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Store protected from light.
Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Keep refrigerated. (Store below 4C/39F.) Keep containers tightly closed. Store protected from light.

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# 3453-83-6: 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 minimize contact with skin.
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: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 76.00 - 78.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C9H12O3S.2H2O
Molecular Weight: 236.29

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. May discolor on exposure to light. Light sensitive.
Conditions to Avoid:
Incompatible materials, light, excess heat.
Incompatibilities with Other Materials:
Strong bases, strong oxidizing agents, direct light.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3453-83-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Mesitylenesulfonic acid dihydrate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: ARYLSULPHONIC ACIDS, SOLID
Hazard Class: 8
UN Number: 2585
Packing Group: III
IMO
Shipping Name: ARYLSULPHONIC ACIDS, SOLID
Hazard Class: 8
UN Number: 2585
Packing Group: III
RID/ADR
Shipping Name: ARYLSULPHONIC ACIDS, SOLID
Hazard Class: 8
UN Number: 2585
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 28 After contact with skin, wash immediately
with...
WGK (Water Danger/Protection)
CAS# 3453-83-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3453-83-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3453-83-6 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:2904100000

概述:
2904100000 仅含磺基的衍生物及其盐和乙酯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2904100000 derivatives containing only sulpho groups, their salts and ethyl esters。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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