邻氨基三氟甲氧基苯

邻氨基三氟甲氧基苯 基本信息
CAS号 1535-75-7 分子式 C7H6F3NO
分子量 177.12400 精确质量  177.04000
PSA  35.25000 LogP  2.74860

基本信息 展开↓

CAS号:
1535-75-7
3D弹球模型:
立即前往扯扯看
分子式:
C7H6F3NO
分子量:
177.12400
中文名称:
邻氨基三氟甲氧基苯
英文名称:
2-(Trifluoromethoxy)aniline
中文别名:
邻氨基三氟甲氧基苯;
邻三氟甲氧基苯胺;
2-(三氟甲氧基)苯胺;
α,α,α-三氟邻茴香胺;
2-三氟甲氧基苯胺
英文别名:
2-(Trifluoromethoxy)aniline;
2-trifluoromethoxy-phenylamine;
O-Aminotrifluorome;
2-(TrifluoroMethoxy)aniline;
o-Amiaotrifluoromethoxybenzene;
2-trifluoromethoxy aniline;
α,α,α-Trifluoro-o-anisidine;
2-Aminotrifluoromethoxybenzene
精确分子量/精确质量:
177.04000
极性分子表面积/PSA:
35.25000
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:
MFCD00035959
EINECS:
216-257-9
PubChem:
24870157
BRN:
2803814
InChI:
InChI=1/C13H5F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h1-5H

物化性质展开↓

外观与性状:
无色液体
密度:
1,301 g/cm3
沸点:
61-63 °C (15 mmHg)
闪点:
54°C
折射率:
1.4614-1.4634
蒸汽压:
0.000695mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

其它信息:

1.       性状:无色透明液体。

2.       密度(g/mL,25/4): 1.301

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):61-63

6.       沸点(ºC,5.2kPa): 未确定

7.       折射率: 1.4614-1.4634

8.       闪点(ºC): 54

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(kPa,25ºC): 未确定

12.    饱和蒸气压(kPa,60ºC): 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:不溶于水。

安全信息展开↓

包装等级:
III
风险类别:
3
海关代码:
2922299090
危险类别码:
R20/21/22;R36/37/38
安全说明:
S36/37/39-S26-S45-S16
危险标志:
Xn:Harmful

毒理性展开↓

生态数据:

对是水稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

 

MSDS 展开↓

  Revision number: 5
  2-(Trifluoromethoxy)aniline
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
    2-(Trifluoromethoxy)aniline
  Product name:
    

    5
  Revision number:

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 3
  Flammable liquids
  HEALTH HAZARDS
    Category 4
  Acute toxicity (Oral)
    Category 4
  Acute toxicity (Dermal)
    Category 4
  Acute toxicity (Inhalation)
    Category 2
  Skin corrosion/irritation
    Category 2A
  Serious eye damage/eye irritation
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
    Warning
  Signal word
    Flammable liquid and vapour
  Hazard statements
    Harmful if swallowed, in contact with skin or if inhaled
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements:
    Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
  [Prevention]
    Keep container tightly closed.
    Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
    measures against ignition by the static discharge and the spark.
    Avoid breathing dust/fume/gas/mist/vapours/spray.
    Use only outdoors or in a well-ventilated area.
    Do not eat, drink or smoke when using this product.
    Wash hands thoroughly after handling.
    Wear protective gloves and eye/face protection.
  2-(Trifluoromethoxy)aniline

Section 2. HAZARDS IDENTIFICATION
    IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
  [Response]
    breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
    IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
    Rinse mouth.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    If skin irritation occurs: Get medical advice/attention.
    Wash contaminated clothing before reuse.
    Call a POISON CENTER or doctor/physician if you feel unwell.
    Store in a well-ventilated place. Keep cool.
  [Storage]
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
    2-(Trifluoromethoxy)aniline
  Components:
    >98.0%(GC)
  Percent:
    1535-75-7
  CAS Number:
    α,α,α-Trifluoro-o-anisidine
  Synonyms:
    C7H6F3NO
  Chemical Formula:

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Call a POISON CENTER or doctor/physician if you feel unwell.
    Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
  Skin contact:
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
    Rinse cautiously with water for several minutes. Remove contact lenses, if present
  Eye contact:
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
    Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
  Ingestion:
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
  Unsuitable extinguishing Solid streams of water
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
    generate poisonous fume.
  from the chemical:
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
    spraying with water. Eliminate all ignition sources if safe to do so.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  2-(Trifluoromethoxy)aniline

Section 6. ACCIDENTAL RELEASE MEASURES
  Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an
  containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected material should be promptly disposed of, in accordance with
    appropriate laws and regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
    case of a fire. Use spark-proof tools and explosion-proof equipment.
  hazards:

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot
    surfaces. -No smoking. Take measures to prevent the build up of electrostatic
    charge. Use explosion-proof equipment. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
    will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
    Keep container tightly closed. Store in a cool, dark and well-ventilated place.
  Storage conditions:
    Store under inert gas.
    Store away from incompatible materials such as oxidizing agents.
    Air-sensitive
    Comply with laws.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Liquid
  Physical state (20°C):
    Clear
  Form:
    Colorless - Reddish yellow
  Colour:
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
    63°C/2kPa
  Boiling point/range:
    54°C
  Flash point:
  Flammability or explosive
  limits:
    No data available
  Lower:
    No data available
  Upper:
    1.32
  Relative density:
  Solubility(ies):
    No data available
  [Water]
    No data available
  [Other solvents]

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous No special reactivity has been reported.
  reactions:
    Spark, Open flame, Static discharge
  Conditions to avoid:
  2-(Trifluoromethoxy)aniline

Section 10. STABILITY AND REACTIVITY
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride
  products:

Section 11. TOXICOLOGICAL INFORMATION
    No data available
  Acute Toxicity:
    No data available
  Skin corrosion/irritation:
    No data available
  Serious eye
  damage/irritation:
    No data available
  Germ cell mutagenicity:
  Carcinogenicity:
    No data available
  IARC =
    No data available
  NTP =
    No data available
  Reproductive toxicity:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
    No data available
  Crustacea:
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
    No data available
  Soil adsorption (Koc):
    No data available
  Henry's Law
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.

Section 14. TRANSPORT INFORMATION
    3: Flammable liquid.
  Hazards Class:
    1993
  UN-No:
    Flammable liquid, n.o.s.
  Proper shipping name:
    III
  Packing group:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.
  2-(Trifluoromethoxy)aniline


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2922299090

概述:
2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
摘要/Summary:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; 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:37.62

2、   摩尔体积m3/mol132.1

3、   等张比容90.2K313.2

4、   表面张力dyne/cm: 31.6

5、   介电常数:无可用

6、   偶极距10-24cm3:无可用

7、   极化率:14.91

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:5

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积35.2

7.重原子数量:12

8.表面电荷:0

9.复杂度:148

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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