1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 下游产品
  • 表征图谱

1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮 基本信息

中文名称:
1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮 
中文别名:
1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮;
1-苯基-1,3,8-三唑螺环4,5十烷-4-酮;
1-苯基-1,3,8-三杂螺[4.5]十烷-4-酮 
英文名称:
1,3,8-Triazaspiro[4.5]decan-4-one,1-phenyl-
英文别名:
1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE;
Spirodecanone;
1,3,8-Triazaspiro[4.5]decan-4-one,1-phenyl;
4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one;
1-phenyl-1,3,8-triazaspiro-[4,5]decan-4-one;
4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane;
1-phenyl-4-oxo-1,3,8-triazaspiro[4,5]decane 
CAS No.:
1021-25-6
分 子 式:

C13H17N3O

分 子 量:
231.29
精确分子量:
231.13700
PSA:
44.37000
MDL:
MFCD00005977
EINECS:
213-819-5
BRN:
617685
InChI:
The Key: HTQWGIHCFPWKAS-UHFFFAOYSA-N
危险品标志:

Xn

风险术语:

R22

安全术语:

S22S24/25

分子结构式:
SDS:
查看

1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮 物化性质

外观与性状:
米色至淡棕色粉末
密度:
1.23g/cm3
熔点:
188-191 °C
沸点:
479.7ºC at 760mmHg
闪点:
243.9ºC
蒸汽压:
2.31E-09mmHg at 25°C
存储条件/存储方法:

 2-8°C密封储存

稳定性相关:

常温常压下稳定,避免氧化物接触

其它信息:

1.      性状:未确定

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):188-191

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,756mmHg):未确定

7.      折射率:未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(kPa,25ºC):未确定

12.   饱和蒸气压(kPa,60ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮 安全信息

海关代码:
2933990090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn: Harmful;

1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮 MSDS

Name: 1-Phenyl-1 3 8-Triazaspiro(4 5) Decan-- 4-One 95% (TLC) Material Safety Data Sheet
Synonym: None
CAS: 1021-25-6
Section 1 - Chemical Product   MSDS Name:1-Phenyl-1 3 8-Triazaspiro(4 5) Decan-- 4-One 95% (TLC) Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1021-25-6 1-phenyl-1,3,8-triazaspiro[4,5]decan-- 95 213-819-5
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1021-25-6: 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: Powder
Color: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 183 - 185 deg C
Autoignition Temperature: 470 deg C ( 878.00 deg F)
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: 2 g/l water (20 c)
Specific Gravity/Density:
Molecular Formula: C13H17N3O
Molecular Weight: 231.30

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1021-25-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-phenyl-1,3,8-triazaspiro[4,5]decan-- 4-one, 90%(hplc) - 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: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 1021-25-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1021-25-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1021-25-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮 海关数据

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%

1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:66.39

2、   摩尔体积m3/mol186.9

3、   等张比容90.2K509.4

4、   表面张力dyne/cm55.1

5、   介电常数:不可用

6、   偶极距10-24cm3:不可用

7、   极化率:26.31

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积44.4

7.重原子数量:17

8.表面电荷:0

9.复杂度:293

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮 表征图谱

推荐供应商更多供应商>>

上海吉至生化科技有限公司

产品介绍:
产品名称:1-苯基-1,3,8-三唑螺环[4,5]十烷-4-酮 Cas号:1021-25-6 纯度:97% 包装信息:1gea,250mgea 价格:760.0元 - 2,465.0元
联系方式:
联系人:江珊 电话:021-57520831 手机:15316869680

爱斯特(成都)生物制药有限公司

产品介绍:
产品名称:1021-25-6 Cas号:1021-25-6 纯度:98% 包装信息:25kg 价格:洽谈
联系方式:
联系人:王经理 电话:13786080509 手机:18080140106

山东默派生物科技有限公司

产品介绍:
产品名称:1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮 Cas号:1021-25-6 纯度:99% 包装信息:1kg 价格:洽谈
联系方式:
联系人:张经理 电话:13070690626 手机:13070690626

上海倍卓生物科技有限公司

产品介绍:
产品名称:1-苯基-1,3,8-三唑螺环[4.5]十烷-4-酮 Cas号:1021-25-6 纯度: 包装信息:洽谈 价格:洽谈
联系方式:
联系人:张烁 电话:021-60548335 手机:18721011993

郑州杰克斯化工有限公司

产品介绍:
产品名称:1-苯基-1,3,8-三唑螺环(4,5)十烷-4-酮 Cas号:1021-25-6 纯度: 包装信息:洽谈 价格:洽谈
联系方式:
联系人:许伟伟 电话:0371-86259281 15981966935 手机:15981966935