123334-05-4 (对甲苯磺酸锌,Zinc p-toluenesulfonate hydrate)

CAS号:
123334-05-4
中文名称:
对甲苯磺酸锌
英文名称:
Zinc p-toluenesulfonate hydrate
分子式:
C14H14O6S2Zn
分子量:
407.76

对甲苯磺酸锌(123334-05-4)名称与标识符

名称

中文别名:
对甲苯磺酸锌;对甲苯磺酸锌水合物;对甲苯磺酸锌盐水合物;6-(1'-叔丁基二甲基硅氧乙基)-3-(2''-四氢呋喃基)-7-氧代-4-硫-1-氮杂双环[3.2.0]庚-2-烯-2-羧酸烯丙酯;6-(1-叔丁基二甲基硅氧乙基)-3-(2-四氢呋喃基)-7-氧代-4-硫-1-氮杂双环[3.2.0]庚-2-烯-2-羧酸烯丙酯;对甲苯亚磺酸锌;活化剂对甲苯亚磺酸锌;双甲苯亚磺酸锌;对甲苯磺酸锌x水合物;
英文别名:
Zinc p-toluenesulfonate hydrate;p-Toluenesulfonic acid zinc salt hydrate;Zinc toluene sulfinate;Zinc p-toluenesulfonate xhydrate;zinc(II) p-toluenesulfonate;zinc;4-methylbenzenesulfonate;hydrate;123334-05-4;ZINC(2+) HYDRATE DITOSYLATE;ZINCP-TOLUENESULFONATEHYDRATE;MFCD00151013;zinc(II) 4-methylbenzenesulfonate hydrate;60553-56-2;E80434;

标识符

MDL:
MFCD00151013
InChIKey:
YISPIDBWTUCKKH-UHFFFAOYSA-L
Inchi:
InChI=1S/2C7H8O3S.Zn/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2
SMILES:
[Zn+2].CC1=CC=C(S([O-])(=O)=O)C=C1.CC1=CC=C(S([O-])(=O)=O)C=C1

对甲苯磺酸锌(123334-05-4)物化性质

实验特性

  • LogP : 3.95730
  • PSA : 131.16000
  • 水溶性 : Insoluble in water.
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 颜色与性状 : 白色粉末
  • 溶解性 : 未确定
  • 密度 : g/cm3

计算特性

  • 精确分子量 : 405.95200
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 0
  • 同位素质量 : 423.962887g/mol
  • 重原子数量 : 21
  • 复杂度 : 122
  • 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 : 3
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 132Ų

对甲苯磺酸锌(123334-05-4)安全信息

对甲苯磺酸锌(123334-05-4)国际标准相关数据

EINECS:
236-576-7

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对甲苯磺酸锌(123334-05-4) MSDS

基础信息

Name:Zinc p-toluenesulfonate hydrate Material Safety Data Sheet
Synonym:p-Toluenesulfonic acid zinc salt hydrat
CAS:123334-05-4
Section 1 - Chemical Product ? MSDS Name:Zinc p-toluenesulfonate hydrate Material Safety Data Sheet
Synonym:p-Toluenesulfonic acid zinc salt hydrat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
123334-05-4Zinc p-toluenesulfonate hydrateunlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
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 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:
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# 123334-05-4: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C14H14O6S2Zn
Molecular Weight: 407.78

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, zinc oxides.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 123334-05-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Zinc p-toluenesulfonate hydrate - 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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 123334-05-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 123334-05-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 123334-05-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A