69411-05-8 (3-氨基-5-氯三氟甲苯,3-Chloro-5-(trifluoromethyl)aniline)

CAS号:
69411-05-8
中文名称:
3-氨基-5-氯三氟甲苯
英文名称:
3-Chloro-5-(trifluoromethyl)aniline
分子式:
C7H5ClF3N
分子量:
195.569511175156

3-氨基-5-氯三氟甲苯(69411-05-8)名称与标识符

名称

中文别名:
3-氨基-5-氯三氟甲苯;3-氯-5-(三氟甲基)苯胺;3-氨基-5-氯-三氟甲苯;3-氯-5-三氟甲基苯胺;
英文别名:
3-Chloro-5-trifluoromethylaniline;3-Chloro-5-(trifluoromethyl)aniline;3-AMINO-5-CHLOROBENZOTRIFLORIDE;3-Amino-5-chlorobenzotrifluoride;3-AMINO-5-CHOROBENZOTRIFLUORIDE;Benzenamine, 3-chloro-5-(trifluoromethyl)-;PubChem2791;5-amino-3chlorobenzotrifluoride;5-amino-3chloro-benzotrifluoride;OVENUGPMQDFGLE-UHFFFAOYSA-N;5-amino-3-chloro-benzotrifluoride;3-Chloro-5-trifluoromethyl-aniline;AC-11534;W-104624;AS-18505;CS-W015716;NS00061922;MFCD02684210;SY033056;AM20041022;EINECS 273-989-1;FT-0615001;CL8424;DTXSID50989250;3-amino-5-chlorobenzotrifluoride, AldrichCPR;SCHEMBL1012745;EN300-133139;69411-05-8;AKOS006343925;

标识符

MDL:
MFCD02684210
InChIKey:
OVENUGPMQDFGLE-UHFFFAOYSA-N
Inchi:
1S/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
SMILES:
ClC1C=C(C=C(C(F)(F)F)C=1)N

3-氨基-5-氯三氟甲苯(69411-05-8)物化性质

实验特性

  • LogP : 3.52220
  • PSA : 26.02000
  • 折射率 : 1.5
  • 沸点 : 218.2±40.0 °C at 760 mmHg
  • 熔点 : No data available
  • 闪点 : 85.8±27.3 °C
  • 颜色与性状 : 黄色液体。
  • 溶解性 : 不能溶于水。
  • 密度 : 1.425

计算特性

  • 精确分子量 : 195.00600
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 195.006
  • 重原子数量 : 12
  • 复杂度 : 159
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.8
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 26

3-氨基-5-氯三氟甲苯(69411-05-8)国际标准相关数据

EINECS:
273-989-1

3-氨基-5-氯三氟甲苯(69411-05-8)海关数据

海关编码:
2921420090
海关数据:

中国海关编码:

2921420090

概述:

2921420090 其他苯胺衍生物及其盐. 增值税率:17.0% 退税率:9.0% 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

Summary:

HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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3-氨基-5-氯三氟甲苯(69411-05-8)上下游

3-氨基-5-氯三氟甲苯(69411-05-8)参考资料

Beilstein:
273-989-1
PubChem CID:

3-氨基-5-氯三氟甲苯(69411-05-8) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      3-Amino-5-chlorobenzotri?uoride    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H331:        Toxic if inhaled    
    H302:        Harmful if swallowed    
    H312:        Harmful in contact with skin    
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    P280:        Wear protective gloves/protective clothing/eye protection/face protection    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
    P304+P340:
    P405:        Store locked up    

Section 3. Composition/information on ingredients.
    Ingredient name:        3-Amino-5-chlorobenzotri?uoride    
    CAS number:        69411-05-8    

Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed    
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C7H5ClF3N
    Molecular weight: 195.6

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, hydrogen ?uoride.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    UN Number:        UN2810 Class: 6.1 Packing group: III    
    Proper shipping name: TOXIC, LIQUIDS, ORGANIC, N.O.S. OR TOXIC, LIQUIDS, ORGANIC, N.O.S. INHALA-
    TION HAZARD, PACKING GROUP I, ZONE A OR B (3-Amino-5-chlorobenzotri?uoride)

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A