8-苄基-1,3,8-三氮杂螺[4.5]癸烷-4-酮

8-苄基-1,3,8-三氮杂螺[4.5]癸烷-4-酮 基本信息
CAS号 974-41-4 分子式 C20H23N3O
分子量 321.41600 精确质量  321.18400
PSA  35.58000 LogP  2.94680

基本信息 展开↓

CAS号:
974-41-4
分子式:
C20H23N3O
分子量:
321.41600
中文名称:
8-苄基-1,3,8-三氮杂螺[4.5]癸烷-4-酮
英文名称:
8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
中文别名:
8-苄基-1,3,8-三氮杂螺[4.5]癸烷-4-酮;
8-苄基-1-苯基-1,3,8-三氮杂螺[4.5]-4-癸酮
英文别名:
8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;
8-Benzyl-1-oxo-4-phenyl-2,4,8-triazaspiro<4.5>decan;
8-benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
精确分子量/精确质量:
321.18400
极性分子表面积/PSA:
35.58000
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。
EINECS:
213-549-8
InChI:
InChI=1/C20H23N3O/c24-19-20(23(16-21-19)18-9-5-2-6-10-18)11-13-22(14-12-20)15-17-7-3-1-4-8-17/h1-10H

物化性质展开↓

密度:
1.22g/cm3
熔点:
232-238ºC
沸点:
538ºC at 760mmHg
闪点:
279.2ºC
折射率:
1.655

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 100-52-7

    苯甲醛

  • +

  • 1021-25-6

    1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮

  • 974-41-4

    8-苄基-1,3,8-三氮杂螺[4.5]癸烷-4-酮

  • 1096-03-3

    4-苯胺-1-苄基哌啶-4-羧酰胺

  • +

  • 77287-34-4

    甲亚胺酸

  • 974-41-4

    8-苄基-1,3,8-三氮杂螺[4.5]癸烷-4-酮

MSDS 展开↓

Name: 8-Benzyl-4-oxo-phenyl-1 3 8-triazaspiro[4 5]decane 99% Material Safety Data Sheet
Synonym:
CAS: 974-41-4
Section 1 - Chemical Product   MSDS Name:8-Benzyl-4-oxo-phenyl-1 3 8-triazaspiro[4 5]decane 99% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
974-41-4 8-Benzyl-4-oxo-phenyl-1,3,8-triazaspir 99% 213-549-8
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# 974-41-4: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 538 deg C @760mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 279 deg C ( 534.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble
Specific Gravity/Density:
Molecular Formula: C20H23N3O
Molecular Weight: 321.42

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 974-41-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
8-Benzyl-4-oxo-phenyl-1,3,8-triazaspiro[4, 5]decane - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 974-41-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 974-41-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 974-41-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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