3-(Trifluoromethyl)aniline 3-氨基三氟甲苯
CAS 98-16-8 MFCD00007797
化学结构图
SMILES: Nc1cccc(C(F)(F)F)c1
化学属性
| Mol. Formula | C7H6F3N |
|---|---|
| Mol. Weight | 161 |
| Boiling Point | 187 °C(lit.) |
| TSCA | T |
| Melting Point | 5-6 °C(lit.) |
| Refractive index | 1.4790 to 1.4820 |
| Density | 1.29 |
| Vapor Pressure | 0.3 mmHg ( 20 °C) |
| Flash Point | 85°C(lit.) |
| pH | :A |
别名和识别编码
| Chemical Name | 3-(Trifluoromethyl)aniline |
|---|---|
| CAS Number | 98-16-8 |
| Alfabeta Name | AMINOBENZOTRIFLUORIDE 3- |
| MDL Number | MFCD00007797 |
| 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 ID | 7375 |
| EC Number | 202-643-4 |
| Beilstein Registry Number | 12(2)1988 |
| Chemical Name Translation | 3-氨基三氟甲苯 |
| Reaxys-RN | 387672 |
| InChIKey | VIUDTWATMPPKEL-UHFFFAOYSA-N |
| Wiswesser Line Notation | ZR CXFFF |
| LabNetwork Molecule ID | LN00007743 |
| InChI | InChI=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
GHS Symbol
- 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
- 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。
- 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
- 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）；
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
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)
