N1-[4-(三氟甲基0苯基]乙酰氨

N1-[4-(三氟甲基0苯基]乙酰氨 基本信息
CAS号 349-97-3 分子式 C9H8F3NO
分子量 203.16450 精确质量  203.05580
PSA  29.10000 LogP  2.73680

基本信息 展开↓

CAS号:
349-97-3
3D弹球模型:
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分子式:
C9H8F3NO
分子量:
203.16450
中文名称:
N1-[4-(三氟甲基0苯基]乙酰氨
英文名称:
Acetamide, N-[4-(trifluoromethyl)phenyl]-
中文别名:
N1-[4-(三氟甲基0苯基]乙酰氨;
4'-(三氟甲基)乙酰苯胺;
4-(三氟甲基)乙酰苯胺
英文别名:
Acetamide, N-[4-(trifluoromethyl)phenyl]-;
p-Acetotoluidide, α,α,α-trifluoro- (8CI);
N-[4-(Trifluoromethyl)phenyl]acetamide;
4'-(Trifluoromethyl)acetanilide;
N-Acetyl-4-(trifluoromethyl)aniline;
NSC 403019;
p-(Trifluoromethyl)acetanilide;
α,α,α-Trifluoro-p-acetotoluidide
精确分子量/精确质量:
203.05580
极性分子表面积/PSA:
29.10000
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:
MFCD00013562
EINECS:
206-495-1
BRN:
2106965
InChI:
The Key: DFDHFECLWHHELH-UHFFFAOYSA-N

物化性质展开↓

密度:
1.302g/cm3
熔点:
152-153°C
沸点:
299.3ºC at 760mmHg
存储条件/存储方法:

密封保存。

其它信息:

一、物性数据

性状:白色粉末

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):151-152

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

安全信息展开↓

海关代码:
2924299090
危险类别码:
R22
安全说明:
S26-S36/37/39
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:
Xn:Harmful;

合成路线查看所有的合成路线

  • 455-14-1

    对三氟甲基苯胺

  • +

  • 108-24-7

    乙酸酐

  • ~99%

  • 349-97-3

    N1-[4-(三氟甲基0苯基]乙酰氨

  • 546434-30-4

    acetic acid-(3-chloro-4-trifluoromethyl-anilide)

  • ~94%

  • 349-97-3

    N1-[4-(三氟甲基0苯基]乙酰氨

  • 5586-13-0

    1-azido-4-(trifluoromethyl)benzene

  • +

  • 507-09-5

    硫代乙酸

  • ~94%

  • 349-97-3

    N1-[4-(三氟甲基0苯基]乙酰氨

毒理性展开↓

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。

MSDS 展开↓

Name: N1-[4-(trifluoromethyl)phenyl]acetamide 97% Material Safety Data Sheet
Synonym:
CAS: 349-97-3
Section 1 - Chemical Product   MSDS Name:N1-[4-(trifluoromethyl)phenyl]acetamide 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
349-97-3 N1-[4-(Trifluoromethyl)phenyl]acetamid 97% 206-495-1
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
May cause 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:

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 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.

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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 349-97-3: 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: off-white - white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 152 - 153 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: C9H8F3NO
Molecular Weight: 203

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 349-97-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N1-[4-(Trifluoromethyl)phenyl]acetamide - 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: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 349-97-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 349-97-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 349-97-3 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↓

分子结构数据


1、   摩尔折射率:45.50

2、   摩尔体积(m3/mol):156.0

3、   等张比容(90.2K):368.2

4、   表面张力(dyne/cm):31.0

5、   极化率10-24cm3):18.03

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:4

4.可旋转化学键数量:1

5.互变异构体数量:3

6.拓扑分子极性表面积29.1

7.重原子数量:14

8.表面电荷:0

9.复杂度:207

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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