(4S,5R)-4-methyl-2,2-dioxo-5-phenyl-2γ6-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester

(4S,5R)-4-methyl-2,2-dioxo-5-phenyl-2γ6-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester 基本信息
CAS号 1091606-65-3 分子式 C14H19NO5S
分子量 313.36900 精确质量  313.09800
PSA  81.29000 LogP  3.64700

基本信息 展开↓

CAS号:
1091606-65-3
3D弹球模型:
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分子式:
C14H19NO5S
分子量:
313.36900
英文名称:
(4S,5R)-4-methyl-2,2-dioxo-5-phenyl-2γ6-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester
英文别名:
(4S,5R)-4-methyl-2,2-dioxo-5-phenyl-2γ6-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester;
(4S,5R)-4-METHYL-5-PHENYL-1,2,3-OXATHIAZOLIDINE-2,2-DIOXIDE-3-CARBOXYLIC ACID T-BUTYL ESTER
精确分子量/精确质量:
313.09800
极性分子表面积/PSA:
81.29000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: OVDYFNLIXOYPKC-JQWIXIFHSA-N

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       (4S,5R)-4-Methyl-5-phenyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester, min. 97%    
   CAS Registry Number:       1091606-65-3    
   Formula:       C14H19NO5S    
   EINECS Number:       none    
   Chemical Family:       organosulfur compound    
   Synonym:       (4S,5R)-4-Methyl-5-phenyl-3-alkoxycarbonyl-1,2,3-oxathiazolidine-2,2-dioxide    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       1091606-65-3       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information available on the physiological effects of ingestion. May be harmful if swallowed.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire, this material may emit toxic and corrosive fumes of sulfur dioxide.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep in a cool, dry, well
   Handling and Storage:
   ventilated place.

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves.    
   Ventilation:       Handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       white solid    
   Molecular Weight:       313.37    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       prolonged exposure to air    
   Incompatibility:       oxidizing agents and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, sulfur oxide and organic fumes    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files    
   Carcinogenic Effects:       No data    
   Mutagenic Effects:       No data    
   Tetratogenic Effects:       No data    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory    
   SARA (Title 313):       Not reportable under SARA 313.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

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