4-氧代四氢噻酚-3-羧酸甲酯

  • 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-氧代四氢噻酚-3-羧酸甲酯 基本信息

中文名称:
4-氧代四氢噻酚-3-羧酸甲酯 
中文别名:
4-氧四氢噻酚-3-羧酸甲酯;
4-氧代四氢噻酚-3-羧酸甲酯 
英文名称:
3-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester
英文别名:
METHYL 4-OXOTETRAHYDROTHIOPHENE-3-CARBOXYLATE;
tetrahydro-4-oxo-3-thiophenecarboxylicacimethylester;
3-oxo-4-methoxycarbonyltetrahydrothiophene;
methyl 4-oxo-tetrahydro-thiophene-3-carboxylate;
methyl 4-oxo-2,3,4,5-tetrahydrothiophene-3-carboxylate;
methyl 4-keto-tetrahydrothiophene-3-carboxylate;
4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENE;
Methyl 4-oxotetrahydrothiophene-3-carboxylate,Tech.;
methyl tetrahydro-4-oxo-3-thiophenecarboxylate;
methyl tetrahydro-4-oxo-3-thenoate;
4-carbomethoxy-2,3,4,5-tetrahydro-3-thiophenone;
4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENONE;
4-oxo-tetrahydro-thiophene-3-carboxylic acid methyl ester;
METHYL 3-OXOTETRAHYDROTHIOPHENE4-CARBOXYLATE 
CAS No.:
2689-68-1
分 子 式:
C6H8O3S
分 子 量:
160.19
精确分子量:
160.01900
PSA:
68.67000
EINECS:
220-256-9
InChI:
InChI=1/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
危险品标志:
风险术语:
R36/37/38   
安全术语:
S26;S37/39
分子结构式:
SDS:
查看

4-氧代四氢噻酚-3-羧酸甲酯 物化性质

外观与性状:
淡黄色至黄色结晶粉末
密度:
1.309 g/cm3
熔点:
38-41ºC
沸点:
248.4ºC at 760 mmHg
闪点:
116.7ºC

4-氧代四氢噻酚-3-羧酸甲酯 安全信息

海关代码:
2934999090
危险类别码:
R36/37/38
安全说明:
26-37/39
危险标志:
Xi: Irritant;

4-氧代四氢噻酚-3-羧酸甲酯 MSDS

Name: Methyl 4-oxotetrahydrothiophene-3-carboxylate 95+% Material Safety Data Sheet
Synonym: Methyl tetrahydro-4-oxo-3-thenoat
CAS: 2689-68-1
Section 1 - Chemical Product   MSDS Name:Methyl 4-oxotetrahydrothiophene-3-carboxylate 95+% Material Safety Data Sheet
Synonym:Methyl tetrahydro-4-oxo-3-thenoat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2689-68-1 Methyl 4-oxotetrahydrothiophene-3-carb 95+% 220-256-9
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# 2689-68-1: 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: Solid
Color: colorless
Odor: pungent odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 95 deg C @3.5mmHg
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:
Specific Gravity/Density:
Molecular Formula: C6H8O3S
Molecular Weight: 160

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2689-68-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 4-oxotetrahydrothiophene-3-carboxylate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 2689-68-1: No information available.
Canada
CAS# 2689-68-1 is listed on Canada's DSL List.
CAS# 2689-68-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2689-68-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-氧代四氢噻酚-3-羧酸甲酯 海关数据

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-氧代四氢噻酚-3-羧酸甲酯 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):0.5

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:2

5.互变异构体数量:5

6.拓扑分子极性表面积:68.7

7.重原子数量:10

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:1

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

4-氧代四氢噻酚-3-羧酸甲酯 上游产品

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