4-烯丙基-1lambda6,4-噻嗪-1,1-二酮 | 79207-42-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 中文名称: 4-烯丙基-1lambda6,4-噻嗪-1,1-二酮
• 英文名称: 4-Allyl-thiomorpholin-S-dioxid
• 英文别名: 4-allyl-thiomorpholine 1,1-dioxide；4-Allyl-thiazan-1,1-dioxid；4-Allyl-1lambda6,4-thiazinane-1,1-dione；4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
• CAS: 79207-42-4
• 化学式: C₇H₁₃NO₂S
• 分子量: 175.252
• InChiKey: FBDCRTGBUXDMGK-UHFFFAOYSA-N

物化性质

• 熔点：
  97-98

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R34
• 安全说明：
  S26,S36/37/39,S45

SDS

Name:	4-Allyl-1lambda~6~ 4-thiazinane-1 1-dione 97% Material Safety Data Sheet
Synonym:	4-Allylthiomorpholine-1,1-dioxid
CAS:	79207-42-4

Section 1 - Chemical Product MSDS Name:4-Allyl-1lambda~6~ 4-thiazinane-1 1-dione 97% Material Safety Data Sheet
Synonym:4-Allylthiomorpholine-1,1-dioxid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
79207-42-4	4-Allyl-1lambda~6~,4-thiazinane-1,1-di	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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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.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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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 foam, dry chemical, or carbon dioxide.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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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# 79207-42-4: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 97 - 98 deg C
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: C7H13NO2S
Molecular Weight: 175

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 79207-42-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Allyl-1lambda~6~,4-thiazinane-1,1-dione - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 3259
Packing Group: III
IMO
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing Group: III
RID/ADR
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing group: III

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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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 79207-42-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 79207-42-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 79207-42-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-溴丙烯 、 4-烯丙基-1lambda6,4-噻嗪-1,1-二酮 反应 1.0h， 生成 4,4-Diallyl-thiazonium-1,1-dioxid
  参考文献：
  名称：

  Bellaart,A.C., Recueil des Travaux Chimiques des Pays-Bas, 1962, vol. 81, p. 156 - 159

  摘要：

  DOI：
• 作为产物：
  描述：

  二乙烯基砜 、 丙烯胺 以 乙醇 为溶剂， 生成 4-烯丙基-1lambda6,4-噻嗪-1,1-二酮
  参考文献：
  名称：

  Bellaart,A.C., Recueil des Travaux Chimiques des Pays-Bas, 1962, vol. 81, p. 156 - 159

  摘要：

  DOI：

文献信息

• Novel benzothiazepine and bensothiepine compounds
  申请人：Sasahara Takehiko

  公开号：US20070190041A1

  公开（公告）日：2007-08-16

  A pharmaceutical useful as a therapeutic agent and a preventive agent for hyperlipemia, and a pharmaceutical useful as a therapeutic agent and a preventive agent for hepatic disorders associated with cholestasis, particularly, primary biliary cirrhosis and primary sclerosing cholangitis, and a pharmaceutical useful as a therapeutic agent and a preventive agent for obesity, fatty liver and steatohepatitis are provided. A benzothiazepine or benzothiepine compound represented by the following formula (1A) having a thioamide bond and a quaternary ammonium substitutent:

  提供了一种药物，可用作治疗和预防高脂血症的治疗剂和预防剂，以及一种药物，可用作治疗和预防与胆汁淤积有关的肝脏疾病，特别是原发性胆汁性肝硬化和原发性硬化性胆管炎的治疗剂和预防剂，以及一种药物，可用作治疗和预防肥胖症、脂肪肝和脂肪性肝炎的治疗剂和预防剂。化合物的苯并噻吩或苯并噻环代表如下式（1A），具有硫酰胺键和季铵取代基：
• Novel quaternary ammonium compounds
  申请人：Sasahara Takehiko

  公开号：US20070203115A1

  公开（公告）日：2007-08-30

  A method for inhibiting ileal bile acid transporter activity in a subject, comprising administering to said subject an effective amount of a compound represented by formula (1):

  一种抑制回肠胆汁酸转运蛋白活性的方法，包括向该受试者施用一种由式（1）所代表的化合物的有效量：
• Zur Kenntnis der Reaktionsf�higkeit des unsubstituierten Thiomorpholins und alkylsubstituierter Thiomorpholine, 5. Mitt.
  作者：Friedrich Asinger、Manfred Kau�en、Irmgard Gold-Martin、Alfons Saus

  DOI：10.1007/bf00899678

  日期：1981.5
• NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1719768B1

  公开（公告）日：2012-04-25
• ASINGER F.; KAUSSEN M.; GOLD-MARTIN I.; SAUS A., MONATSH. CHEM., 1981, 112, NO 5, 643-657
  作者：ASINGER F.、 KAUSSEN M.、 GOLD-MARTIN I.、 SAUS A.

  DOI：——

  日期：——