4-氨基苯甲酰苯胺

4-氨基苯甲酰苯胺 基本信息
CAS号 17625-83-1 分子式 C13H12N2O
分子量 212.24700 精确质量 　212.09500
PSA 　55.12000 LogP 　3.17530
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
17625-83-1
3D弹球模型：
立即前往扯扯看
分子式：
C13H12N2O
分子量：
212.24700
中文名称：
4-氨基苯甲酰苯胺
英文名称：
4'-Aminobenzanilide
中文别名：
4-氨基苯甲酰苯胺;
4'-氨基苯甲酰苯胺;
4′-苯甲酰胺基苯胺;
4-苯甲酰胺基 苯胺;
对氨基苯酰替苯胺
英文别名：
4'-Aminobenzanilide;
1-amino-4-benzoylaminobenzene;
Aminobenzaldehydepolymer;
4′-Aminobenzanilide;
4-benzoylamino-aniline;
P-AMINOBENZANILIDE;
N1-Benzoyl-1,4-diaminobenzene
精确分子量/精确质量：
212.09500
极性分子表面积/PSA：
55.12000
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：
MFCD00035777
EINECS：
241-603-0
PubChem：
24873862
InChI：
The Key: GTTFJYUWPUKXJH-UHFFFAOYSA-N

物化性质展开↓

外观与性状：
固体
密度：
1.171g/cm3
熔点：
127-131 °C(lit.)
沸点：
278.1ºC at 760mmHg
闪点：
122ºC
折射率：
1.41
蒸汽压：
0.917mmHg at 25°C
存储条件/存储方法：

常温密闭避光，通风干燥

稳定性相关：

常温常压下稳定

避免的物料：氧化物

其它信息：

1.       性状：不确定

2.       密度（g/mL,25/4℃）：不确定

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：127-131(lit.)

5.       沸点（ºC,常压）：不确定

6.       沸点（ºC, 5.2kPa）：不确定

7.       折射率：不确定

8.       闪点（ºC）：不确定

9.       比旋光度（º）：不确定

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：不确定

安全信息展开↓

海关代码：
2924299090
WGK_Germany：
3
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：
S26-S36
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。
S36:穿戴合适的防护服装。
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 93-97-0

    苯甲酸酐

  • +

  • 106-50-3

    对苯二胺

  • →

    ~93%

  • 17625-83-1

    4-氨基苯甲酰苯胺

  • 914489-91-1

    914489-91-1

  • →

    ~93%

  • 17625-83-1

    4-氨基苯甲酰苯胺

  • 100-47-0

    苯甲腈

  • +

  • 540-37-4

    对碘苯胺

  • →

    ~83%

  • 17625-83-1

    4-氨基苯甲酰苯胺

毒理性展开↓

生态数据：

通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

MSDS 展开↓

Name: N-Benzoylphenylenediamine 98% Material Safety Data Sheet
Synonym: 1-Amino-4-benzoylaminobenzen
CAS: 17625-83-1
Section 1 - Chemical Product   MSDS Name:N-Benzoylphenylenediamine 98% Material Safety Data Sheet
Synonym:1-Amino-4-benzoylaminobenzen
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17625-83-1 N-Benzoylphenylenediamine 98% 241-603-0
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
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:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
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:
Treat symptomatically and supportively.
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:
Use foam, dry chemical, or carbon dioxide.
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.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17625-83-1: Personal Protective Equipment Eyes: Not available.
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C13H12N2O
Molecular Weight: 212.25
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acetic anhydride, acid chlorides, carbon dioxide.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 17625-83-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Benzoylphenylenediamine - 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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 17625-83-1: 2
Canada
CAS# 17625-83-1 is listed on Canada's NDSL List.
CAS# 17625-83-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17625-83-1 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：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↓

分子结构数据

1、   摩尔折射率：65.06

2、   摩尔体积（m3/mol）：170.5

3、   等张比容（90.2K）：472.7

4、   表面张力（dyne/cm）：58.9

5、   极化率（10-24cm3）：25.79

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55.1

7.重原子数量:16

8.表面电荷:0

9.复杂度:228

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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