3-(三氟甲基)-2-吡唑啉-5-酮

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品

3-(三氟甲基)-2-吡唑啉-5-酮 基本信息

中文名称:
3-(三氟甲基)-2-吡唑啉-5-酮 
中文别名:
3-(三氟甲基)-2-吡唑啉-5-酮;
3-(三氟甲基)-2-吡唑烷-5-酮;
3-三氟甲基-1H-5-吡唑酮 
英文名称:
3H-Pyrazol-3-one,2,4-dihydro-5-(trifluoromethyl)-
英文别名:
3-(Trifluoromethyl)-1H-pyrazol-5(4H)-one;
3-(Trifluoromethyl)-2-pyrazolin-5-one 
CAS No.:
401-73-0
分 子 式:
C4H3F3N2O
分 子 量:
152.08
精确分子量:
152.02000
PSA:
41.46000
InChI:
The Key: PMTWALQJNWEDLH-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
查看

3-(三氟甲基)-2-吡唑啉-5-酮 物化性质

密度:
1.7 g/cm3
熔点:
214-217ºC
其它信息:

一、物性数据

性状:不可用

密度(g/mL,25/4): 不可用

相对蒸汽密度(g/mL,空气=1)不可用

熔点(ºC):214-217

沸点(ºC,常压):不可用

沸点(ºC,5.2kPa): 不可用

折射率: 不可用

闪点(ºC): 不可用

比旋光度(º): 不可用

自燃点或引燃温度(ºC): 不可用

蒸气压(kPa,25ºC): 不可用

饱和蒸气压(kPa,60ºC): 不可用

燃烧热(KJ/mol):不可用

临界温度(ºC): 不可用

临界压力(KPa): 不可用

油水(辛醇/水)分配系数的对数值:不可用 

爆炸上限(%,V/V):不可用

爆炸下限(%,V/V): 不可用

溶解性:不可用

3-(三氟甲基)-2-吡唑啉-5-酮 安全信息

海关代码:
2933199090
危险类别码:
R36/37/38
安全说明:
26-36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi: Irritant;

3-(三氟甲基)-2-吡唑啉-5-酮 毒理性

毒理学数据:

二、毒理学数据:

急性毒性:不可用 。

生态数据:

三、生态学数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

3-(三氟甲基)-2-吡唑啉-5-酮 MSDS

Name: 3-(Trifluoromethyl)-4 5-dihydro-1h-pyrazol-5-one Material Safety Data Sheet
Synonym:
CAS: 401-73-0
Section 1 - Chemical Product   MSDS Name:3-(Trifluoromethyl)-4 5-dihydro-1h-pyrazol-5-one Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
401-73-0 3-(Trifluoromethyl)-4,5-dihydro-1h-pyr 97+% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

Section 4 - FIRST AID MEASURES
  Eyes: Not available.
Skin:
Not available.
Ingestion:
Not available.
Inhalation:
Not available.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
Not available.
Extinguishing Media:
Not available.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Not available.

Section 7 - HANDLING and STORAGE
  Handling:
Not available.
Storage:
Not available.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Exposure Limits CAS# 401-73-0: Personal Protective Equipment Eyes: Not available.
Skin:
Not available.
Clothing:
Not available.
Respirators:
Not available.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: white - off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 214 - 217 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: C4H3F3N2O
Molecular Weight: 152.08

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Not available.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 401-73-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(Trifluoromethyl)-4,5-dihydro-1h-pyrazol-5-one - 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
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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 401-73-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 401-73-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 401-73-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-(三氟甲基)-2-吡唑啉-5-酮 海关数据

中国海关编码:2933199090

概述:
2933199090. 其他结构上有非稠合吡唑环化合物. 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:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(三氟甲基)-2-吡唑啉-5-酮 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:25.53

2、   摩尔体积(m3/mol):89.0

3、   等张比容(90.2K):214.5

4、   表面张力(dyne/cm):33.7

5、   极化率10-24cm3):10.12

计算化学数据

1.疏水参数计算参考值(XlogP):0.6

2.氢键供体数量:1

3.氢键受体数量:5

4.可旋转化学键数量:0

5.互变异构体数量:5

6.拓扑分子极性表面积41.5

7.重原子数量:10

8.表面电荷:0

9.复杂度:195

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

3-(三氟甲基)-2-吡唑啉-5-酮 上游产品

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:3-(三氟甲基)-1H-吡唑-5(4H)-酮 Cas号:401-73-0 纯度:95% 包装信息:1gea,5gea 价格:87.0元 - 327.0元
联系方式:
联系人:Shirley张 电话:021-57520831 手机:18116052675

范德(北京)生物科技有限责任公司

产品介绍:
产品名称:401-73-0 Cas号:401-73-0 纯度:95% 包装信息:5g 价格:176.0元
联系方式:
联系人:王 电话:15911056312 手机:15911056312

郑州杰克斯化工产品有限公司

产品介绍:
产品名称:3-(三氟甲基)-2-吡唑啉-5-酮 Cas号:401-73-0 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 手机:15981966935
QQ: 2241752642
微信二维码
电话: 19906633110