3453-83-6

(均三甲苯磺酸,2,4,6-Trimethylbenzenesulfonic acid)
均三甲苯磺酸结构式图片|3453-83-6结构式图片
均三甲苯磺酸
2,4,6-Trimethylbenzenesulfonic acid
3453-83-6
C9H12O3S
200.25478
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:均三甲苯磺酸结构式
均三甲苯磺酸MOL
76992

名称和标识符

MDLMFCD00007434
InChIKeyLXFQSRIDYRFTJW-UHFFFAOYSA-N
InchiInChI=1S/C9H12O3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H,10,11,12)
SMILESO=S(C1=C(C)C=C(C)C=C1C)(O)=O

别名信息

- 中文别名 -

  • 均三甲苯磺酸
  • 2,4,6-三甲基苯磺酰氯
  • 2-甲基磺酰氯
  • 磺酸荚二水合物
  • 异亚丙基丙酮磺酸二水合物
  • 2,4,6-三甲苯基磺酸
  • 2,4,6-三甲基苯磺酸
  • 2-三甲苯磺酰氯
  • 均三甲苯磺酸二水合物
  • 均三甲苯硫酸二水合物
  • 1,3,5-三甲基-2-苯磺酰氯
  • 2,4,6-三甲苯基磺酸二水合物
  • 2,4,6-三甲苯基磺酰氯

- 英文别名 -

  • 2,4,6-Trimethylbenzenesulfonic acid
  • 2,4,6-TRIMETHYLBENZENESULFONYL CHLORIDE
  • 2,4,6-TRIMETHYLBENZYLSULFONYL CHLORIDE
  • 2-MESITYLENESULFONYL CHLORIDE
  • 2-MESITYLENSULFONYL CHLORIDE
  • MESITYLENE-2-SULFONIC ACID CHLORIDE
  • MESITYLENE-2-SULFONYL CHLORIDE
  • MESITYLENESULFONIC ACID HYDRATE
  • MESITYLENESULFONYL CHLORIDE
  • MESITYLENESULPHONIC ACID HYDRATE
  • MESITYLENESULPHONYL CHLORIDE
  • MTS-CL
  • 2-MESITYLENE SULPHONIC ACID
  • Mesitylenesulfonate
  • 2-Mesitylenesulfonic Acid
  • 2-Mesitylenesulfonic acid dihydrate
  • 2,4,6-Trimethylbenzenesulfonic Acid Dihydrate
  • Mesitylenesulfonic Acid Dihydrate
  • Mesitylene-2-sulphonic acid dihydrate
  • SCHEMBL23788
  • SY107984
  • 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)
  • Mesitylsulfonic acid
  • W-106730
  • MFCD00007482
  • NSC 5233
  • 3453-83-6
  • 2-Mesitylenesulfonic acid
  • 2,4,6-Trimethylbenzenesulfonicacid
  • Mesitylenesulfonic acid
  • tert-butyl 2-(4-(cyclopentylcarbamoyl)piperidin-1-yl)nicotinate
  • AKOS000291438
  • UNII-B7T8KN72DC
  • Q63409559
  • EINECS 222-379-3
  • 2,4,6-trimethylbenzene-1-sulfonic acid
  • NS00010639
  • LXFQSRIDYRFTJW-UHFFFAOYSA-
  • Mesitylene-2-sulphonic acid
  • NSC-5233
  • B7T8KN72DC
  • Mesitylene-2-sulfonic acid dihydrate
  • AS-81341
  • DTXSID20188076
  • Benzenesulfonic acid, 2,4,6-trimethyl-
  • NSC5233
  • FT-0612777
  • E83363
  • 2,4,6-Trimethylbenzenesulfonyl chloride
  • DB-048640
  • DB-048640

物化性质

实验特性

LogP2.93930
PSA62.75000
折射率1.545
沸点°Cat760mmHg
熔点55-57 ºC
闪点>230 °F
颜色与性状白色至灰色晶体状粉末
溶解性不能溶解的
密度1.243

计算特性

精确分子量200.05100
氢键供体数量1
氢键受体数量3
可旋转化学键数量1
同位素质量200.051
重原子数量13
复杂度253
同位素原子数量0
确定原子立构中心数量0
不确定原子立构中心数量0
确定化学键立构中心数量0
不确定化学键立构中心数量0
共价键单元数量1
疏水参数计算参考值(XlogP)1.8
拓扑分子极性表面积62.8A^2

安全信息

RTECS号 DB8930000
WGK Germany 3
安全术语 8
安全说明 S22-S26-S27-S36/37/39-S45
包装等级 III
包装类别 III
风险术语 R34
危险等级 8
危险品标志C C
危险品运输编号 UN 3261 8/PG 2
储存条件 Sealed in dry,2-8°C
PackingGroup III
危险类别码 R34
HazardClass 8
FLUKA BRAND F CODES 10-21

国际标准相关数据

EINECS222-379-3

海关数据

海关编码2904100000
海关数据

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

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%

专业数据库参考

PubChemId76992

均三甲苯磺酸 MSDS

基础信息

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 NamecontentEINECS#
3453-83-62-Mesitylenesulfonic acid dihydrate97222-379-3
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

化合物详情(旧版)

SMILES

O.O.CC1=CC(C)=C(C(C)=C1)S(=O)(O)=O

物理化学性质

熔点 55-57 ºC
闪点 >230 °F

产品用途


应用领域





上下游产品信息


化学品安全说明书(MSDS)


储运特性



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