Alpha-苯酰乙酰苯胺

Alpha-苯酰乙酰苯胺 基本信息
CAS号 85-99-4 分子式 C15H13NO2
分子量 239.26900 精确质量  239.09500
PSA  46.17000 LogP  2.94900

基本信息 展开↓

CAS号:
85-99-4
3D弹球模型:
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分子式:
C15H13NO2
分子量:
239.26900
中文名称:
Alpha-苯酰乙酰苯胺
英文名称:
N-(2-benzoylphenyl)acetamide
中文别名:
Alpha-苯酰乙酰苯胺;
苯甲酰乙酰苯胺;
2'-苯甲酸乙酰苯胺
英文别名:
N-(2-benzoylphenyl)acetamide;
2-Acetamidobenzophenone;
2-(N-ethanoylamino)benzophenone;
N-(2-benzoyl-phenyl)acetamide;
acetic acid-(2-benzoyl-anilide);
2'-Benzoylacetanilide;
Acetamido-2 benzophenone [French];
o-acetamidobenzophenone;
N-(o-benzoylphenyl)acetamide;
Acetamide,N-(2-benzoylphenyl);
Acetamido-2 benzophenone
精确分子量/精确质量:
239.09500
极性分子表面积/PSA:
46.17000
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。
贝尔斯坦号/MDL:
MFCD00442710
InChI:
The Key: MRXZRJQRQWTKIX-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


由苯甲酰乙酸乙酯和苯胺反应而得。将苯甲酰乙酸乙酯和无水二甲苯一起加热至150℃,搅拌下滴加苯胺,一面反应,一面馏出生成的乙醇,当不再馏出乙醇时即反应结束。将反应物在石油醚中结晶,过滤,洗涤,再用苯重结晶即得产品。产率75%左右。

合成制备方法


 由苯甲酰乙酸乙酯和苯胺反应而得。将苯甲酰乙酸乙酯和无水二甲苯一起加热至150,搅拌下滴加苯胺,一面反应,一面馏出生成的乙醇,当不再馏出乙醇时即反应结束。将反应物在石油醚中结晶,过滤,洗涤,再用苯重结晶即得产品。产率75%左右。

用途简介


检定铝、铀。有机合成。

用途


 检定铝、铀。有机合成。

物化性质展开↓

外观与性状:
淡黄色粉末
密度:
1.192g/cm3
熔点:
87 °C
沸点:
477ºC at 760 mmHg
闪点:
196.2ºC
折射率:
1.618
存储条件/存储方法:

密封贮藏,储存在阴凉、干燥地方。

稳定性相关:

避免与不相容材料接触。
 与强氧化剂反应。

其它信息:

1.       性状:白色叶状结晶

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:108

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,50mmHg):未确定

7.       折射率(n20/D):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(mmHg,40ºC):未确定

12.    饱和蒸气压(kPa,125ºC):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:溶于乙醇、氯仿、热苯和碱溶液,微溶于水和苯

安全信息展开↓

海关代码:
2924299090
WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S37/39-S26
RTECS号:
AB4542950
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;

合成路线查看所有的合成路线

  • 108-24-7

    乙酸酐

  • +

  • 2835-77-0

    2-氨基二苯甲酮

  • ~98%

  • 85-99-4

    Alpha-苯酰乙酰苯胺

  • 103-84-4

    乙酰苯胺

  • +

  • 108-88-3

    甲苯

  • ~95%

  • 85-99-4

    Alpha-苯酰乙酰苯胺

  • 103-84-4

    乙酰苯胺

  • +

  • 611-73-4

    苯甲酰甲酸

  • ~88%

  • 85-99-4

    Alpha-苯酰乙酰苯胺

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB4542950
CHEMICAL NAME :
Acetamide, N-(2-benzoylphenyl)-
CAS REGISTRY NUMBER :
85-99-4
LAST UPDATED :
199803
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H13-N-O2
MOLECULAR WEIGHT :
239.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2563M
毒理学数据:

1、急性毒性:小鼠经腹腔LD50600mg/kg

生态数据:

对环境有危害,对水体有污染。

MSDS 展开↓

Name: 2-Benzoylacetanilide Material Safety Data Sheet
Synonym: N-(2-Benzoylphenyl)acetamide; 3-Oxo-3-phenylpropionanilde
CAS: 85-99-4
Section 1 - Chemical Product   MSDS Name:2-Benzoylacetanilide Material Safety Data Sheet
Synonym:N-(2-Benzoylphenyl)acetamide; 3-Oxo-3-phenylpropionanilde

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
85-99-4 2-benzoylacetanilide 100.0 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
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 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:
Antidote: None reported.

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. Minimize dust generation and accumulation. 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# 85-99-4: 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: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 106.00 - 108.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C15H13NO2
Molecular Weight: 239.27

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:
Strong 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# 85-99-4: AB4542950 LD50/LC50:
Not available.
Carcinogenicity:
2-benzoylacetanilide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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.
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# 85-99-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 85-99-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 85-99-4 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:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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:1

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:11

6.拓扑分子极性表面积46.2

7.重原子数量:18

8.表面电荷:0

9.复杂度:308

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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