CAS: 50594-82-6; 3,4,5-Trichlorobenzotrifluoride

该化合物是一种卤化芳烃化合物,其特点是在苯环上存在三个氯原子和一个三氟甲基组,这种结构具有很高的化学稳定性和反应性,使其成为有机合成中有价值的中间体,特别是农用化学品和药品,其电排替代成分增强了其在核生殖替代和交叉反应中的效用.该化合物的强力热和氧化稳定性进一步支持其在高温应用中的使用.此外,三氟甲基组有助于亲性,这对于设计生物活性分子可能具有优势.适当的处理由于其潜在的毒性和环境持久性而至关重要.

英文名称3,4,5-Trichlorobenzotrifluoride
中文名称3,4,5-三氯三氟甲苯
IUPAC名称1,2,3-trichloro-5-(trifluoromethyl)benzene
其它别名3,4,5-三氯三氟甲苯, 5-Trichlorobenzotrifluorid; 3,4,5-Trichlorotrifluoromethylbenzene
CAS编号50594-82-6
MFCD编号:MFCD00035985
EINECS号:256-636-6
FDA UNII编号:88UV3JQC3W
分子式:C7H2Cl3F3
分子量:249.45
产品CID: 1494022
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: FBKFIAIRSQOXJR-UHFFFAOYSA-N
InChI=1S/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H…
计算化学: 氢键受体数*氢键供体数0可旋转键数0

物理性质

熔点-10 °C
沸点202.2°C at 760 mmHg
闪点98°C
密度1.6±0.1 g/cm3
LogP:4.6656
折射率1.490
蒸汽压0.4±0.4 mmHg at 25°C
敏感性如果遵照规格使用和储存则不会分解，未有已知危险反应
外观形态无色至几乎无色透明液体
储存条件密封, 常温干燥保存
性质描述无色油状液体.密度1.6,熔点-10°C,沸点200-202°C,折射率1.498-1.501,闪点98°C

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS09;
注释: Exclamation mark & Environment
危险类别皮肤致敏类别1B
水生慢性毒性类别2
皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
严重眼刺激类别2A
警示词Warning(警告)
危险描述H317 |可能引起皮肤过敏反应.
H411 |对水生生物有毒并具有长期持续影响.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
防范说明P264-P280-P302+P352-P362+P364
危险品标志Xi
风险等级Irritant
安全声明24/25
危险类别码36/38
WGK Germany3

欧盟法规

REACH注册ECHA物质ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

三氟甲苯置于氯,三氯化铁体系中,化学反应生成 3,4,5-三氯三氟甲苯
参考文献:Ushakov,A.A. Et Al.,Journal Of Organic Chemistry Ussr (English Translation),1976,Vol. 12,P. 2140-2144
标题:Ushakov,A.A. Et Al.,Journal Of Organic Chemistry Ussr (English Translation),1976,Vol. 12,P. 2140-2144

海关参考信息

2902300000-甲苯
2903911000-邻二氯苯
2903991000-对氯甲苯
2903399090-其他无环烃卤化衍生物
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-8507693-B2
优先权日:2010-03-03
标题:Process for synthesis of fipronil
发明人：GHARDA KEKI HORMUSJI
权利人:GHARDA KEKI HORMUSJI
摘要:The present disclosure relates to a process for trifluoromethylsulfinyl pyrazole compound of formula I, n nfrom a compound of formula III, wherein, R, R 1 and R 2 represent a group containing halogen group respectively and R 3 represents a perhaloalkyl.

专利号:EP-0289036-A1
优先权日:1987-04-30
标题:Preparation of 3-chloro-4,5-difluorobenzotrifluoride
发明人：MUNDHENKE RUDOLPH F; TANG DAVID Y
权利人:OCCIDENTAL CHEM CO
摘要:In the synthesis of 3-chloro-4,5-difluorobenzotrifluoride by reaction of KF with 3,5-dichloro-4-fluorobenzotrifluoride, the production of undesirable by-products, especially over-fluorinated materials such as trifluorobenzotrifluoride is minimized when the reaction is run at a temperature of 196Â° to 206Â° Celsius in the presence of N-methyl-2-pyrrolidone.

专利号:WO-2011107998-A1
优先权日:2010-03-03
标题 :Process for synthesis of fipronil

专利号:AU-2010100462-A4
优先权日:2010-03-03
标题:A process for the synthesis of Fipronil

专利号:EP-0095683-A1
优先权日:1982-06-01
标题 :Trifluoromethylphenoxyphenyl derivatives, process for their preparation and their use as herbicides
发明人：FOERSTER HEINZ DR; FUEHRER WOLFGANG DR; STETTER JOERG DR; EUE LUDWIG DR; SCHMIDT ROBERT R DR; LUERSSEN KLAUS DR
权利人:BAYER AG
摘要:X' fÃ¼r Wasserstoff, Fluor, Chlor, Brom, Jod, Nitro oder Cyano steht, X 2 fÃ¼r Wasserstoff, Fluor, Chlor, Brom oder Jod steht, R fÃ¼r Wasserstoff oder Nitro steht, X fÃ¼r Sauerstoff, eine CO-O-Gruppe oder fÃ¼r die Gruppierung der Formeln steht, R', R 2 , R 5 und R 8 unabhÃ¤ngig voneinander fÃ¼r Wasserstoff oder C 1 -C 5 -Alkyl stehen, R 3 fÃ¼r Wasserstoff oder C 1 -C 3 -Alkyl steht, oder R 2 und R 3 gemeinsam fÃ¼r C 1 -C 3 -Alkandiyl stehen, R 4 fÃ¼r Wasserstoff oder C 1 -C 5 -Alkyl steht, oder R 3 und R 4 gemeinsam fÃ¼r C 1 -C 3 -Alkandiyl stehen, Y fÃ¼r Sauerstoff, Schwefel, eine -NR 7 -gruppe oder eine CO-O-Gruppe steht, R 7 fÃ¼r Wasserstoff oder C 1 -C 5 -Alkyl steht, m fÃ¼r die Zahlen 1, 2 oder 3 steht, n fÃ¼r die Zahlen 0 oder 1 steht und p fÃ¼r die Zahlen 1, 2 oder 3 steht, mehrere Verfahren zur Herstellung der erfindungsgemÃ¤ÃŸen Stoffe und deren Verwendung als Herbizide. Neue Ausgangsstoffe zur Herstellung der erfindungsgemÃ¤ÃŸen Verbindungen und die Synthese dieser neuen Ausgangsstoffe. New trifluoromethylphenoxy-phenyl derivatives of the formula in which X 'represents hydrogen, fluorine, chlorine, bromine, iodine, nitro or cyano, X 2 represents hydrogen, fluorine, chlorine, bromine or iodine, R represents hydrogen or nitro, X for oxygen, a CO-O group or for the grouping of the formula stands, R ', R 2 , R 5 and R 8 independently of one another represent hydrogen or C 1 -C 5 alkyl, R 3 represents hydrogen or C 1 -C 3 alkyl, or R 2 and R 3 together represent C 1 -C 3 alkanediyl, R 4 represents hydrogen or C 1 -C 5 alkyl, or R 3 and R 4 together represent C 1 -C 3 alkanediyl, Y represents oxygen, sulfur, an -NR 7 group or a CO-O group, R 7 represents hydrogen or C 1 -C 5 alkyl, m represents the numbers 1, 2 or 3, n stands for the numbers 0 or 1 and p stands for the numbers 1, 2 or 3, several processes for the preparation of the substances according to the invention and their use as herbicides. New starting materials for the preparation of the compounds according to the invention and the synthesis of these new starting materials.

专利号:EP-2542531-B1
优先权日:2010-03-03
标题:Process for synthesis of fipronil