菲尼酮D

  • 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

菲尼酮D 基本信息

中文名称:
菲尼酮D 
中文别名:
4,4-二甲基菲尼酮;
菲尼酮D;
4,4-二甲基-1-苯基-3-吡唑酮 
英文名称:
3-Pyrazolidinone,4,4-dimethyl-1-phenyl-
英文别名:
4,4-dimethyl-1-phenylpyrazolidin-3-one;
1-Phenyl-4,4-dimethyl-3-pyrazolidon;
4,4-dimethyl-1-phenyl-3-pyrazolidinone;
4,4-Dimethyl-1-phenyl-3-pyrazolidone;
Dimezone;
4,4-Dimethylphenidone;
1-Phenyl-4,4-dimethyl-3-pyrazolidinon;
3-Pyrazolidinone,4,4-dimethyl-1-phenyl;
EINECS 220-181-1;
4,4-dimethyl-1-phenyl-pyrazolidin-3-one 
CAS No.:
2654-58-2
分 子 式:
C11H14N2O
分 子 量:
190.24
精确分子量:
190.11100
PSA:
32.34000
MDL:
MFCD00044325
EINECS:
220-181-1
BRN:
144478
InChI:
The Key: SJSJAWHHGDPBOC-UHFFFAOYSA-N
危险品标志:
T:Toxic
风险术语:
R25; R36/37/38; R43;
安全术语:
S24; S26; S28A;
SDS:
查看

菲尼酮D 物化性质

外观与性状:
白色至淡橙色或粉红色结晶粉末
密度:
1.087 g/cm3
熔点:
167-172 °C(lit.)
闪点:
195 °C
水溶解性:
soluble
折射率:
1.537
存储条件/存储方法:

 密闭于阴凉干燥环境中

稳定性相关:

遵照规定使用和储存则不会分解。

其它信息:

1.      性状:无可用

2.      密度(g/mL,25/4):无可用

3.      相对蒸汽密度(g/mL,空气=1):无可用

4.      熔点(ºC):167-172

5.      沸点(ºC,常压):无可用

6.      沸点(ºC,5.2kPa):无可用

7.      折射率:无可用

8.      闪点(ºC):195

9.      比旋光度(º):无可用

10.   自燃点或引燃温度(ºC):无可用

11.   蒸气压(kPa,25ºC):无可用

12.   饱和蒸气压(kPa,60ºC):无可用

13.   燃烧热(KJ/mol):无可用

14.   临界温度(ºC):无可用

15.   临界压力(KPa):无可用

16.   油水(辛醇/水)分配系数的对数值:无可用

17.   爆炸上限(%,V/V):无可用

18.   爆炸下限(%,V/V):无可用

19.   溶解性:可溶于水

菲尼酮D 安全信息

包装等级:
II
风险类别:
6.1
海关代码:
2933990090
WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R25;R36/37/38;R43
安全说明:
S26-S36/37-S45-S37/39-S28A-S24
RTECS号:
UQ8710000
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。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T:Toxic;

菲尼酮D 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ8710000
CHEMICAL NAME :
3-Pyrazolidinone, 4,4-dimethyl-1-phenyl-
CAS REGISTRY NUMBER :
2654-58-2
LAST UPDATED :
199806
DATA ITEMS CITED :
2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - cyanosis Gastrointestinal - hypermotility, diarrhea
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533633
毒理学数据:

试验方法:口服
摄入剂量:30毫克/千克
测试对象:啮齿动物-
毒性类型:急性
毒性作用:1.嗜睡(普通抑郁活动)
2.胸部或呼吸受影响
3.腹泻

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

菲尼酮D MSDS

Name: 4 4-Dimethyl-1-phenyl-3-pyrazolidone 99% Material Safety Data Sheet
Synonym: 3-pyrazolidinone, 4,4-dimethyl-1-phenyl
CAS: 2654-58-2
Section 1 - Chemical Product   MSDS Name:4 4-Dimethyl-1-phenyl-3-pyrazolidone 99% Material Safety Data Sheet
Synonym:3-pyrazolidinone, 4,4-dimethyl-1-phenyl

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2654-58-2 3-pyrazolidinone, 4,4-dimethyl-1-pheny 99 220-181-1
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.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Dust may cause mechanical irritation. No information reported.
Skin:
May cause skin irritation. No information reported.
Ingestion:
May cause irritation of the digestive tract. 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.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
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.
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 if cough or other symptoms appear.
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.
Extinguishing Media:
For small fires, 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. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
  Handling:
Wash hands before eating. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 2654-58-2: 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 to off-white to pink
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 167.00 - 169.00 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: soluble
Specific Gravity/Density:
Molecular Formula: C11H14N2O
Molecular Weight: 190.24

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Strong oxidants.
Incompatibilities with Other Materials:
None reported.
Hazardous Decomposition Products:
No data available.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2654-58-2: UQ8710000 LD50/LC50:
CAS# 2654-58-2: Oral, rat: LD50 = 30 mg/kg.
Carcinogenicity:
3-pyrazolidinone, 4,4-dimethyl-1-phenyl- - 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
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 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 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# 2654-58-2: No information available.
Canada
CAS# 2654-58-2 is listed on Canada's DSL List.
CAS# 2654-58-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2654-58-2 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

菲尼酮D 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%

菲尼酮D 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:54.64

2、  摩尔体积(m3/mol):174.9

3、  等张比容(90.2K):430.4

4、  表面张力(dyne/cm):36.6

5、  极化率10-24cm3):21.66

计算化学数据

1.疏水参数计算参考值(XlogP):2.2

2.氢键供体数量:1

3.氢键受体数量:2

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32.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:231

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

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