2-苯基硫代吗啉-3-酮

2-苯基硫代吗啉-3-酮 基本信息
CAS号 70156-57-9 分子式 C10H11NOS
分子量 193.26500 精确质量  193.05600
PSA  54.40000 LogP  1.91950

基本信息 展开↓

CAS号:
70156-57-9
3D弹球模型:
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分子式:
C10H11NOS
分子量:
193.26500
中文名称:
2-苯基硫代吗啉-3-酮
英文名称:
2-PHENYLTHIOMORPHOLIN-3-ONE
中文别名:
2-苯基硫代吗啉-3-酮
英文别名:
2-PHENYLTHIOMORPHOLIN-3-ONE;
2-phenyl-3-thiomorpholinone;
2-Phenyl-thiomorpholin-3-on;
2-Phenyl-3-oxo-1,4-thiazane;
2-phenyl-1,4-thiazaperhydroin-3-one;
2-phenyl-thiomorpholin-3-one;
2-Phenyl-3-thiomorpholinon;
3-Oxo-2-phenyl-thiomorpholin
精确分子量/精确质量:
193.05600
极性分子表面积/PSA:
54.40000
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: GWXBCKSRRQCIEM-UHFFFAOYSA-N

物化性质展开↓

密度:
1.34g/cm3
熔点:
158ºC
沸点:
432.5ºC at 760 mmHg
闪点:
215.4ºC
折射率:
1.644

安全信息展开↓

安全说明:
S24/25

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM3087000
CHEMICAL NAME :
3-Thiomorpholinone, 2-phenyl-
CAS REGISTRY NUMBER :
70156-57-9
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H11-N-O-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,136,1963

MSDS 展开↓

Name: 2-Phenylthiomorpholin-3-one 97% Material Safety Data Sheet
Synonym:
CAS: 70156-57-9
Section 1 - Chemical Product   MSDS Name:2-Phenylthiomorpholin-3-one 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
70156-57-9 2-Phenylthiomorpholin-3-one 97% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 70156-57-9: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 158 - 162 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: C10H11NOS
Molecular Weight: 193

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 70156-57-9: XM3087000 LD50/LC50:
CAS# 70156-57-9: Oral, mouse: LD50 = >4 gm/kg.
Carcinogenicity:
2-Phenylthiomorpholin-3-one - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 70156-57-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 70156-57-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 70156-57-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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