3-乙酰氨基三氟甲苯

3-乙酰氨基三氟甲苯 基本信息
CAS号 351-36-0 分子式 C9H8F3NO
分子量 203.16100 精确质量  203.05600
PSA  29.10000 LogP  2.73680

基本信息 展开↓

CAS号:
351-36-0
3D弹球模型:
立即前往扯扯看
分子式:
C9H8F3NO
分子量:
203.16100
中文名称:
3-乙酰氨基三氟甲苯
英文名称:
N-[3-(trifluoromethyl)phenyl]acetamide
中文别名:
3-乙酰氨基三氟甲苯;
3-(三氟甲氧基)乙酰胺
英文别名:
N-[3-(trifluoromethyl)phenyl]acetamide;
m-Trifluoromethyl acetanilide;
N-acetyl-3-trifluoromethylbenzenamine;
3-CF3C6H4NHAc;
m-Acetaminobenzotrifluoride;
3-Acetamidobenzotrifluoride;
USAF MA-14;
3-Trifluoromethylacetanilide
精确分子量/精确质量:
203.05600
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:
MFCD00000383
EINECS:
206-512-2
BRN:
2213222
InChI:
InChI=1/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)

物化性质展开↓

外观与性状:
白色至灰白色晶体或结晶粉末
密度:
1.302g/cm3
熔点:
103-106ºC
沸点:
292ºC at 760mmHg
闪点:
130.4ºC
折射率:
1.495
其它信息:

一、物性数据

性状:不可用

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):103-106

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:
26-36
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:
Xn:Harmful;

合成路线查看所有的合成路线

  • 98-16-8

    间氨基三氟甲苯

  • ~99%

  • 351-36-0

    3-乙酰氨基三氟甲苯

  • 108-24-7

    乙酸酐

  • +

  • 98-16-8

    间氨基三氟甲苯

  • ~97%

  • 351-36-0

    3-乙酰氨基三氟甲苯

  • 348-90-3

    N-[4-氯-3-(三氟甲基)苯基]-乙酰胺

  • ~94%

  • 351-36-0

    3-乙酰氨基三氟甲苯

化学图谱

  1. 3-(三氟甲氧基)乙酰苯胺质谱(MS)

  2. 3-(三氟甲氧基)乙酰苯胺核磁图(13CNMR)

  3. 3-(三氟甲氧基)乙酰苯胺核磁图(1HNMR)

  4. 3-(三氟甲氧基)乙酰苯胺红外图谱(IR1)

  5. 3-(三氟甲氧基)乙酰苯胺Raman光谱

  6. 3-(三氟甲氧基)乙酰苯胺红外图谱(IR2)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AN3740000
CHEMICAL NAME :
m-Acetotoluidide, alpha,alpha,alpha-trifluoro-
CAS REGISTRY NUMBER :
351-36-0
BEILSTEIN REFERENCE NO. :
2213222
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H8-F3-N-O
MOLECULAR WEIGHT :
203.18
WISWESSER LINE NOTATION :
FXFFR CMV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,20,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
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: 3-Acetamidobenzotrifluoride Material Safety Data Sheet
Synonym: ,,-Trifluoro-m-acetotoluidide; 3-Trifluoromethylacetanilid
CAS: 351-36-0
Section 1 - Chemical Product   MSDS Name:3-Acetamidobenzotrifluoride Material Safety Data Sheet
Synonym:,,-Trifluoro-m-acetotoluidide; 3-Trifluoromethylacetanilid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
351-36-0 3-Acetamidobenzotrifluoride >98 206-512-2
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:
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: Immediately 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:

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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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, then place into a suitable 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 351-36-0: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides 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: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 103.00 - 106.00 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: CH3CONHC6H4CF3
Molecular Weight: 203.16

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents; strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 351-36-0: AN3740000 LD50/LC50:
CAS# 351-36-0: Oral, mouse: LD50 = 550 mg/kg.
Carcinogenicity:
3-Acetamidobenzotrifluoride - 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 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 351-36-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 351-36-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 351-36-0 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:215

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
  • 98-16-8

    间氨基三氟甲苯

  • 108-24-7

    乙酸酐

  • 887144-97-0

    3,3-二甲基-1-(三氟甲基)-1,2-苯并碘氧杂戊环

  • 78887-39-5

    3-乙酰胺基苯硼酸

  • 106-95-6

    3-溴丙烯

下游产品

更多
  • 344-62-7

    2-(三氟甲基)乙酰苯胺

  • 393-12-4

    4-硝基-3-三氟甲基乙酰苯胺

  • 395-99-3

    N-[2-nitro-5-(trifluoromethyl)phenyl]acetamide

  • 387-19-9

    N-[2-nitro-3-(trifluoromethyl)phenyl]acetamide

  • 454-92-2

    3-三氟甲基苯甲酸

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便