3-(Trifluoromethyl)aniline 3-氨基三氟甲苯

CAS 98-16-8 MFCD00007797

化学结构图

98-16-8
SMILES: Nc1cccc(C(F)(F)F)c1

化学属性

Mol. FormulaC7H6F3N
Mol. Weight161
Boiling Point187 °C(lit.)
TSCAT
Melting Point5-6 °C(lit.)
Refractive index1.4790 to 1.4820
Density1.29
Vapor Pressure0.3 mmHg ( 20 °C)
Flash Point85°C(lit.)
pH:A

别名和识别编码

Chemical Name3-(Trifluoromethyl)aniline
CAS Number98-16-8
Alfabeta NameAMINOBENZOTRIFLUORIDE 3-
MDL NumberMFCD00007797
Synonym 3-Aminobenzotrifluoride AURORA KA-675 LABOTEST-BB LTBB000739 3-(三氟甲基)苯胺 5-AMINO-2-METHYL-1,3-OXAZOLE-4-CARBONITRILE m-(Trifluoromethyl)aniline α,α,α-三氟间甲苯胺 3-氨基三氟甲苯 m-Aminobenzal fluoride α,α,α-三氟间甲苯胺 TIMTEC-BB SBB003954 3-(Trifluoromethyl)aniline, ,,-Trifluoro-m-toluidine 3-(Trifluoromethyl)aniline 3-AMINO-A,A,A-TRIFLUOROTOLUENE 間胺三氟甲苯 M-AMINO-TRIFLUOROTOLUENE 3-AMINO TRIFLUORO METHYL BENZENE USAF MA-4 3-氨基三氟甲苯 A,A,A-TRIFLUORO-M-TOLUIDINE M-AMINOBENZOTRIFLUORIDE AKOS 91144 Benzenamine, 3-(trifluoromethyl)- m-Abtf Toluene, 3-amino-alpha,alpha,alpha-trifluoro- ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINE α,α,α-三氟间甲苯胺 3-AMINOBENZOTRIFLUORIDE 3-(TRIFLUOROMETHYL)ANILINE 3-(三氟甲基)苯胺,间氨基三氟甲苯,3-氨基三氟甲苯,间三氟甲基苯胺,α,α,α-三氟-间-甲苯胺 5-AMINO-2-METHYL-4-OXAZOLECARBONITRILE α,α,α-三氟间甲苯胺 3-氨基三氟甲苯 2-METHYL-5-AMINOOXAZOLE-4-CARBONITRILE 3-(Trifluoromethyl)benzenamine M-AMINOTRIFLUOROMETHYLBENZENE
PubChem Substance ID7375
EC Number202-643-4
Beilstein Registry Number12(2)1988
Chemical Name Translation3-氨基三氟甲苯
Reaxys-RN387672
InChIKeyVIUDTWATMPPKEL-UHFFFAOYSA-N
Wiswesser Line NotationZR CXFFF
LabNetwork Molecule IDLN00007743
InChIInChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2
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分类

  • Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 染料，医药和农药的重要中间体。

相关文献及参考

  • Beil. 12 ,IV,1843
  • Aldrich MSDS 1 , 62:B / Corp MSDS 1 (1), 141:B / FT-IR 2 (2), 2037:D / FT-IR 1 (1), 1198:C / FT-NMR 1 (2), 467:C / IR-Spectra (2), 634:H / IR-Spectra (3), 719:F / NMR-Reference 2 (1), 1001:A / RegBook 1 (1), 1389:K / Sax 6 , 192 / Sigma FT-IR 1 (2), 258:A / Structure Index 1 , 215:B:6 / Vapor Phase 3 , 1118:B
  • Used in an example of a general method for the conversion of aromatic amines to sulfonyl chlorides by reaction of the diazonium chlorides with SO2: Org. Synth. Coll., 7, 508 (1990).

安全信息

Warnings 危化品目录(2015) IRRITANT, TOXIC
GHS Symbol
WGK Germany3
Hazard statements
  • H330 Fatal if inhaled 吸入致命
  • H302+H312
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T+
RTECSXU9180000
Precautionary statements
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P304+P340+P310
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
Signal word
Packing GroupII
UN Number UN 2948 6.1/PG 2 2948
Risk Statements
  • R26 Very toxic by inhalation 吸入极毒
  • R24 Toxic in contact with skin 与皮肤接触有毒
  • R22 Harmful if swallowed 吞咽有害
  • R33 Danger of cumulative effects 有累积作用的危险
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard Class6.1 
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 440 mg/m3/4H
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - cyanosis
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv.
   Toxicology of New Industrial Chemical Substances.  For English translation,
   see TNICS*.  (Izdatel'stvo Meditsina, Moscow, USSR)  No.1-    1961-
   Volume(issue)/page/year: 10,131,1968

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OB

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 615 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,20,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 480 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,20,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 480 mg/kg
TOXIC EFFECTS :
   Details of toxic effect

Restrict 危险品

其他信息

  • 无色或黄色油状液体，不溶于水，溶于醇、醚，遇光氧化变成棕色，能与亚硝酸钠进行重氮化反应，生成重氮盐，进而可制成一系列衍生物。有苯胺气味，加热分解出极毒烟雾。
  • MOL 文件:5098-16-8.mol
  • 蒸气压:0.3 mm Hg ( 20 °C)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Isoxazoles 异恶唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Oxazoles 恶唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. C7 - Amines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  1. C10 to C11 - Amines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Amines 胺
  6. C2 to C6

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