2-羧基甲基硫代-4-甲基嘧啶

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

2-羧基甲基硫代-4-甲基嘧啶 基本信息

中文名称:
2-羧基甲基硫代-4-甲基嘧啶 
中文别名:
2-羧基甲基硫代-4-甲基嘧啶;
2-(羧甲基硫代)-4-甲基嘧啶 
英文名称:
[(4-methylpyrimidin-2-yl)thio]acetic acid
英文别名:
2-(4-methylpyrimidin-2-yl)sulfanylacetic acid;
2-Carboxymethylmercapto-4-methyl-pyrimidin;
2-(CARBOXYMETHYLTHIO)-4-METHYLPYRIMIDINE 
CAS No.:
46118-95-0
分 子 式:
C7H8N2O2S
分 子 量:
184.22
精确分子量:
184.03100
PSA:
88.38000
MDL:
MFCD00023244
EINECS:
256-253-4
BRN:
150424
InChI:
The Key: CGMJQRAIQBSTCC-UHFFFAOYSA-N
风险术语:
36/37/38
分子结构式:
SDS:
查看

2-羧基甲基硫代-4-甲基嘧啶 物化性质

密度:
1.37 g/cm3
熔点:
187-192 °C
沸点:
367.4ºC at 760 mmHg
闪点:
176ºC
存储条件/存储方法:

 密封、阴凉、干燥保存

稳定性相关:

常规情况下不会分解,没有危险反应

其它信息:

1.       性状:粉末

2.       密度(g/mL,25ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):190-193

5.       沸点(ºC):未确定

6.       沸点(ºC30mm hg):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(ºC):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

2-羧基甲基硫代-4-甲基嘧啶 安全信息

海关代码:
2933599090
危险类别码:
36/37/38
安全说明:
S24/25

2-羧基甲基硫代-4-甲基嘧啶 毒理性

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

 

2-羧基甲基硫代-4-甲基嘧啶 MSDS

Name: 2-(Carboxymethylthio)-4-Methylpyrimidine 97% (Titr.) Material Safety Data Sheet
Synonym: [(4-Methylpyrimidine-2-yl)Thio]Acetic Acid
CAS: 46118-95-0
Section 1 - Chemical Product   MSDS Name:2-(Carboxymethylthio)-4-Methylpyrimidine 97% (Titr.) Material Safety Data Sheet
Synonym:[(4-Methylpyrimidine-2-yl)Thio]Acetic Acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
46118-95-0 2-(Carboxymethylthio)-4-Methylpyrimidi 97% 256-253-4
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. Runoff from fire control or dilution water may cause pollution.
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# 46118-95-0: 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:
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: Solid
Color: faint yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 188.00 - 191.00 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: C7H8N2O2S
Molecular Weight: 184.22

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, irritating and toxic fumes and gases, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 46118-95-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(Carboxymethylthio)-4-Methylpyrimidine - 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# 46118-95-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 46118-95-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 46118-95-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2-羧基甲基硫代-4-甲基嘧啶 海关数据

中国海关编码:2933599090

概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-羧基甲基硫代-4-甲基嘧啶 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):1

2、   氢键供体数量:1

3、   氢键受体数量:4

4、   可旋转化学键数量:3

5、   互变异构体数量:0

6、   拓扑分子极性表面积(TPSA):63.1

7、   重原子数量:12

8、   表面电荷:0

9、   复杂度:166

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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产品介绍:
产品名称:2-羧基甲基硫代-4-甲基嘧啶 Cas号:46118-95-0 纯度: 包装信息:洽谈 价格:洽谈
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