2-Chloro-1,3-Dinitro-5-(Trifluoromethyl)Benzene 4-氯-3,5-二硝基三氟甲苯

CAS 393-75-9 MFCD00007068

化学结构图

393-75-9
SMILES: O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl

化学属性

Mol. FormulaC7H2ClF3N2O4
Mol. Weight270.55
Melting Point50-55°C
TSCAT
Density1.6
Flash Point126°C
Boiling Point278.6°C at 760 mmHg
Appearance 本品为淡黄色固体,m.p.56~58℃,相对密度 1.6085,溶于苯、甲苯等有机溶剂。

别名和识别编码

Chemical Name2-Chloro-1,3-Dinitro-5-(Trifluoromethyl)Benzene
CAS Number393-75-9
Alfabeta NameCHLORODINITROBENZOTRIFLUORIDE 435---,
MDL NumberMFCD00007068
Synonym 4-Chloro-3,5-dinitrobenzotrifluoride {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {} {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {} {} {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3,5-dinitrobenzotrifluoride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID9809
EC Number206-889-3
Beilstein Registry Number1220937
Chemical Name Translation4-氯-3,5-二硝基三氟甲苯
Reaxys-RN1220937
LabNetwork Molecule IDLN00113908
InChIInChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H
Canonical SMILESClC1=C([N+]([O-])=O)C=C(C(F)(F)F)C=C1[N+]([O-])=O
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分类

  • {Chemicalbook} 农药中间体: 植物生长调节剂中间体
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H310 Fatal in contact with skin 皮肤接触致命
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSXS9065000
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P302+P350
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Safety Statements
  • 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);
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
Packing GroupII
UN Number UN 2811 6.1/PG 2
Risk Statements
  • R24 Toxic in contact with skin 与皮肤接触有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Hazard Codes T T,Xi
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 930 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   AISSAW Annali dell'Istituto Superiore di Sanita.  (Istituto Poligrafico e
   Zecca dello Stato, Piazza Verdi, 10 Rome, Italy)  V.1-    1965-
   Volume(issue)/page/year: 19,351,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 161 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0546185

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 用途三:本品主要用于生产农药,是旱田除草剂氟乐灵的中间体,该药是优良的旱田除草剂。本品也是医药、染料的重要中间体。
  • 毒性分级:中毒
  • 职业标准:STEL 0.05 毫克/立方米
  • Sigma Aldrich:393-75-9(sigmaaldrich)
  • Hazard Note:Irritant
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 方法二:以对氯三氟甲基苯为原料,经一硝化制得4-氯-3-硝基三氟甲基苯,再经二硝化制得产品。原料消耗定额:对氯三氟甲基苯780kg/t、硝酸1000kg/t、硫酸4500kg/t。
  • TCI Shanghai:4-氯-3,5-二硝基三氟甲苯 4-Chloro-3,5-dinitrobenzotrifluoride,>;97.0%(GC)(393-75-9)
  • 上游原料:对氯三氟甲苯 --> 硝基物 --> 储槽
  • 海关编码:29049085
  • 4-氯-3,5-二硝基三氟甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0994 4-氯-3,5-二硝基三氟甲苯 4-Chloro-3,5-dinitrobenzotrifluoride 25G 1100元 2014/06/02 C0994 4-氯-3,5-二硝基三氟甲苯 4-Chloro-3,5-dinitrobenzotrifluoride 10G 573元 2010/05/25 A10446 4-氯-3,5-二硝基三氟甲苯, 97% 4-Chloro-3,5-dinitrobenzotrifluoride, 97% 25g 1112元
  • MOL 文件:393-75-9.mol
  • 下游产品:氟乐灵
  • Alfa Aesar:4-氯-3,5-二硝基三氟甲苯,97% 4-Chloro-3,5-dinitrobenzotrifluoride, 97%(393-75-9)
  • 急性毒性:口服- 大鼠 LD50: 930 毫克/ 公斤
  • 类别:有毒物质
  • 可燃性危险特性:可燃; 火场分解有毒氮氧化物; 氟化物和氯化物烟雾
  • TSCA:T
  • 方法一:其制备方法是用对氯三氟甲苯进行硝化,先后分别进行一硝化和二硝化。 一硝化:采用二硝化的废酸进行一硝化反应,在搅拌冷却和回流条件下,向硝化反应釜滴加对氯三氟甲苯,控制滴加速度以控制反应温度,待反应达到终点时,将水滴入至废酸含H 2 SO 4 80%左右,停止搅拌,静置分层,废酸打入废酸处理装置,一硝基物放入储槽准备进行二硝化。 二硝化:将发烟硫酸和硝酸配制成混酸,打入硝化反应釜,搅拌下滴加一硝基物,滴加完毕,保温反应至终点。停止搅拌,静置分层,分出废酸,二硝基物经中和、洗涤、脱除亚硝基化合物即为成品。
  • 用途一:用作有机合成中间体
  • 用途二:3,5-二硝基-4-氯三氟甲苯是植物生长调节剂氟节胺和除草剂氟乐灵的中间体。
  • 储运特性:库房低温, 通风, 干燥
  • MSDS 信息:1,3-Dinitro-2-chloro-5-trifluoromethylbenzene(393-75-9).msds

系列性分类


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