4-(4-碘苯基)四氢-1(2H)-吡嗪羧酸叔丁酯

4-(4-碘苯基)四氢-1(2H)-吡嗪羧酸叔丁酯 基本信息
CAS号 151978-66-4 分子式 C15H21IN2O2
分子量 388.24400 精确质量  388.06500
PSA  32.78000 LogP  3.35120

基本信息 展开↓

CAS号:
151978-66-4
3D弹球模型:
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分子式:
C15H21IN2O2
分子量:
388.24400
中文名称:
4-(4-碘苯基)四氢-1(2H)-吡嗪羧酸叔丁酯
英文名称:
tert-Butyl 4-(4-iodophenyl)piperazine-1-carboxylate
中文别名:
4-(4-碘苯基)四氢-1(2H)-吡嗪羧酸叔丁酯
英文别名:
tert-Butyl 4-(4-iodophenyl)piperazine-1-carboxylate;
4-(4-iodophenyl)-piperazine-1-carboxylic acid tert-butyl ester;
TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;
4-(4-Iodophenyl)piperazine,N1-BOC protected;
t-butyl 4-(4-iodophenyl)piperazine-1-carboxylate;
1-Piperazinecarboxylicacid,4-(4-iodophenyl)-,1,1-dimethylethyl ester
精确分子量/精确质量:
388.06500
极性分子表面积/PSA:
32.78000
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: ZOWJTZMYSLZILG-UHFFFAOYSA-N

物化性质展开↓

密度:
1.481g/cm3
熔点:
150ºC
沸点:
439.5ºC at 760 mmHg
闪点:
219.6ºC
折射率:
1.584
蒸汽压:
6.36E-08mmHg at 25°C

合成路线查看所有的合成路线

  • 624726-35-8

    1-(4-碘苯基)哌嗪 盐酸盐

  • +

  • 24424-99-5

    二碳酸二叔丁酯

  • ~93%

  • 151978-66-4

    4-(4-碘苯基)四氢-1(2H)-吡嗪羧酸叔丁酯

  • 24424-99-5

    二碳酸二叔丁酯

  • +

  • 96530-59-5

    1-(4-碘苯基)哌嗪

  • ~92%

  • 151978-66-4

    4-(4-碘苯基)四氢-1(2H)-吡嗪羧酸叔丁酯

  • 77278-63-8

    1-Boc-4-苯基哌嗪

  • ~87%

  • 151978-66-4

    4-(4-碘苯基)四氢-1(2H)-吡嗪羧酸叔丁酯

MSDS 展开↓

Name: tert-Butyl 4-(4-iodophenyl)tetrahydro-1(2H)-pyrazinecarboxylate Material Safety Data Sheet
Synonym: None Known
CAS: 151978-66-4
Section 1 - Chemical Product   MSDS Name:tert-Butyl 4-(4-iodophenyl)tetrahydro-1(2H)-pyrazinecarboxylate Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
151978-66-4 tert-Butyl 4-(4-iodophenyl)tetrahydro- 97+ unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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.
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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 151978-66-4: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 149-150 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: C15H21IN2O2
Molecular Weight: 388.0637

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen iodide, iodine.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 151978-66-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyl 4-(4-iodophenyl)tetrahydro-1(2H)-pyrazinecarboxylate - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 151978-66-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 151978-66-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 151978-66-4 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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