4,4-二苯氨基脲

4,4-二苯氨基脲 基本信息
CAS号 603-51-0 分子式 C13H13N3O
分子量 227.26200 精确质量  227.10600
PSA  58.36000 LogP  3.49920

基本信息 展开↓

CAS号:
603-51-0
3D弹球模型:
立即前往扯扯看
分子式:
C13H13N3O
分子量:
227.26200
中文名称:
4,4-二苯氨基脲
英文名称:
3-amino-1,1-diphenylurea
中文别名:
4,4-二苯氨基脲;
4,4-二苯基氨脲
英文别名:
3-amino-1,1-diphenylurea;
Semicarbazide,4-diphenyl;
Hydrazinecarboxamide,N-diphenyl;
4,4-Diphenyl-semicarbazol;
4,4-Diphenylsemicarbazid;
N,N-diphenyl-hydrazinecarboxamide;
Hydrazinecarboxamide,N,N-diphenyl;
Semicarbazide,4,4-diphenyl;
4,4-Diphenylsemicarbazide
精确分子量/精确质量:
227.10600
极性分子表面积/PSA:
58.36000
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:
210-046-5
InChI:
InChI=1/C13H13N3O/c14-15-13(17)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2,(H,15,17)

生产制备方法及用途展开↓

制备方法


能还原斐林氏(Fehling’s)溶液, 羰基化合物的特性鉴定。有机合成

用途简介


用途


能还原斐林氏(Fehling’s)溶液, 羰基化合物的特性鉴定。有机合成

物化性质展开↓

密度:
1.237g/cm3
熔点:
151-152ºC(lit.)
折射率:
1.656
存储条件/存储方法:

本品应密封避光保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:棱柱状结晶,微碱性

2.       密度(g/mL,25/4):

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):151-152

5.       沸点(ºC,常压):

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:n20/D 1.428(lit.)

8.       闪点(ºC):113

9.       比旋光度(º):

10.    自燃点或引燃温度(ºC):

11.    蒸气压(kPa,25ºC):

12.    饱和蒸气压(kPa,60ºC):

13.    燃烧热(KJ/mol):

14.    临界温度(ºC):

15.    临界压力(KPa):

16.    油水(辛醇/水)分配系数的对数值:

17.    爆炸上限(%,V/V):

18.    爆炸下限(%,V/V):

19.    溶解性:

安全信息展开↓

海关代码:
2928000090
安全说明:
S24/25

合成路线查看所有的合成路线

  • 64-17-5

    乙醇

  • +

  • 7803-57-8

    水合肼

  • +

  • 83-01-2

    二苯氨基甲酰氯

  • 75011-84-6

    75011-84-6

  • +

  • 603-51-0

    4,4-二苯氨基脲

  • 122-39-4

    二苯胺

  • 603-51-0

    4,4-二苯氨基脲

  • 603-54-3

    Urea, 1,1-diphenyl-

  • 603-51-0

    4,4-二苯氨基脲

化学图谱

  1. 4,4-二苯氨基脲红外图谱(IR1)

  2. 4,4-二苯氨基脲红外图谱(IR2)

  3. 4,4-二苯氨基脲质谱(MS)

  4. 4,4-二苯氨基脲核磁图(13CNMR)

上一页 1/4 下一页

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: 4 4-Diphenylsemicarbazide 98% Material Safety Data Sheet
Synonym:
CAS: 603-51-0
Section 1 - Chemical Product   MSDS Name:4 4-Diphenylsemicarbazide 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
603-51-0 4,4-Diphenylsemicarbazide 98 210-046-5
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:
Dust may cause mechanical irritation.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
Inhalation of dust may cause respiratory tract irritation.
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.
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.
Extinguishing Media:
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 or absorb material, then place into a suitable clean, dry, closed 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# 603-51-0: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 151.00 - 152.00 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:
Specific Gravity/Density:
Molecular Formula: C13H13N3O
Molecular Weight: 227.27

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 603-51-0 unlisted.
LD50/LC50:
Not available.
Oral, rat: LD50 = 800 Carcinogenicity:
4,4-Diphenylsemicarbazide - 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 24/25 Avoid contact with skin and eyes.
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# 603-51-0: No information available.
Canada
CAS# 603-51-0 is listed on Canada's NDSL List.
CAS# 603-51-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 603-51-0 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2928000090

概述:
2928000090 其他肼(联氨)及胲(羟胺)的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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
摘要/Summary:
2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

分子结构与计算化学数据展开↓

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:2

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积58.4

7.重原子数量:17

8.表面电荷:0

9.复杂度:227

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

上下游相关产品

上游产品

更多
  • 83-01-2

    二苯氨基甲酰氯

  • 603-54-3

    Urea, 1,1-diphenyl-

  • 122-39-4

    二苯胺

  • 64-17-5

    乙醇

  • 7803-57-8

    水合肼

下游产品

更多
  • 67-51-6

    3,5-二甲基吡唑

  • 17223-83-5

    diphenylcarbamoylimino(imino)azanium

  • 122-39-4

    二苯胺

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便