4,5-Diphenyl-2-imidazolethiol

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

4,5-Diphenyl-2-imidazolethiol 基本信息

中文名称:
4,5-Diphenyl-2-imidazolethiol 
中文别名:
4,5-二苯基-2-咪唑硫醇;
4,5-联苯-2-巯咪唑;
hexyl 2-methylpropanoate;
hexyl isobutyrate;
Majeptil;
Thioperazine dimethanesulfonate;
Thioperazine methanesulfate;
Thioproperazine bis-methanesulfonate;
Thioproperazine mesilate;
Thioproperazine methanesulfonate;
UNII-71P630M192;
Vontil;
Phenothiazine-2-sulfonamide, N,N-dimethyl-10-(3-(4-methyl-1-piperazinyl)propyl)-, dimethanesulfonate;
thioproperazine dimesilate;
N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-p 
英文名称:
2H-Imidazole-2-thione,1,3-dihydro-4,5-diphenyl-
英文别名:
4,5-diphenyl-1,3-dihydroimidazole-2-thione;
InChI=1/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18);
4,5-diphenyl-2-mercaptoimidazole;
GMTAWLUJHGIUPU-UHFFFAOYSA;
2,3-dihydro-4,5-diphenyl-1H-imidazole-2-thione;
4,5-diphenyl-1H-imidazole-2-thiol;
4,5-diphenylimidazole-2-thiol;
diphenylimidazolylhydrosulfide;
4,5-Diphenyl-2-imidazolethiol;
2H-Imidazole-2-thione,1,3-dihydro-4,5-diphenyl;
4,5-diphenyl-2-mercapto-1H-imidazole;
4,5-diphenylimidazole-thiol 
CAS No.:
2349-58-8
分 子 式:
C15H12N2S
分 子 量:
252.33
精确分子量:
252.07200
PSA:
67.48000
MDL:
MFCD00005189
EINECS:
219-077-9
BRN:
187613
InChI:
InChI=1/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)
安全术语:
S24/25
分子结构式:
SDS:
查看

4,5-Diphenyl-2-imidazolethiol 物化性质

密度:
1.29g/cm3
熔点:
>300 °C(lit.)
沸点:
407.5ºC at 760mmHg
闪点:
200.3ºC
折射率:
1.724
蒸汽压:
7.51E-07mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,避免与不相容材料接触。

4,5-Diphenyl-2-imidazolethiol 安全信息

海关代码:
2933290090
WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
S22-S24/25

4,5-Diphenyl-2-imidazolethiol MSDS

Name: 4 5-Diphenyl-2-Imidazolethiol 97% Material Safety Data Sheet
Synonym: None known
CAS: 2349-58-8
Section 1 - Chemical Product   MSDS Name:4 5-Diphenyl-2-Imidazolethiol 97% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2349-58-8 4,5-Diphenyl-2-Imidazolethiol 97 219-077-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. 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:

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. 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.

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.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 2349-58-8: 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: slightly yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 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: C15H12N2S
Molecular Weight: 252.33

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, 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# 2349-58-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,5-Diphenyl-2-Imidazolethiol - 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: Not available.
Risk Phrases:
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# 2349-58-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2349-58-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2349-58-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4,5-Diphenyl-2-imidazolethiol 海关数据

中国海关编码:2933290090

概述:
2933290090. 其他结构含非稠合咪唑环的化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4,5-Diphenyl-2-imidazolethiol 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):3

2.氢键供体数量:2

3.氢键受体数量:1

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积56.2

7.重原子数量:18

8.表面电荷:0

9.复杂度:318

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

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