2,4-Difluoronitrobenzene 2,4-二氟硝基苯

CAS 446-35-5 MFCD00007050

化学结构图

446-35-5
SMILES: O=[N+]([O-])c1ccc(F)cc1F

化学属性

Mol. FormulaC6H3F2NO2
Mol. Weight159.09
Refractive index1.5120 to 1.5140
Boiling Point207°C at 760 mmHg
Density1.451
Melting Point9-10°C
Flash Point91°C
TSCAYes
Vapor Density>;1 (vs air)
pH:A

别名和识别编码

Chemical Name2,4-Difluoronitrobenzene
CAS Number446-35-5
Alfabeta NameDIFLUORONITROBENZENE 24-,
MDL NumberMFCD00007050
Synonym 2,4-Difluoro-1-nitrobenzene {LY} 2,4-Difluoro-1-nitrobenzene {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Difluoro-1-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Diflu
PubChem Substance ID67967
EC Number207-167-0
Beilstein Registry Number5(1)129
Reaxys-RN2048034
Chemical Name Translation2,4-二氟硝基苯
Wiswesser Line NotationWNR BF DF
LabNetwork Molecule IDLN00175061
InChIInChI=1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
Canonical SMILESFC1=CC(F)=CC=C1[N+]([O-])=O
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分类

  • Aryl Fluorinated Building Blocks, Building Blocks, C6, Chemical Synthesis, Fluorinated Building Blocks, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
  • {SA} Aryl Fluorinated Building Blocks, Building Blocks, C6,

产品应用

  • 2,4-Difluoronitrobenzene has been used in the synthesis of:
  • 2,4-difluoro-5-nitrobenzenesulfonic acid via sulfonation reaction;
  • (±)-horsfiline;
  • resin-bound 2-arylaminobenzimidazoles.

相关文献及参考

  • Short: EINECS
  • Nucleophilic displacement of the activated fluorines with 2-ethyl-4-methylimidazole occurs predominantly at the 2-position, or, under more forcing conditions, at both 2- and 4-positions: J. Med. Chem., 34, 2671 (1991).
  • Short: III/38B

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard Codes T,Xi T
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H301 Toxic if swallowed 吞食有毒
  • 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
  • H330 Fatal if inhaled 吸入致命
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSCZ5730000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P309+P311
  • 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。
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗(见本标签上的)。
  • 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。
  • P370+P378
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P403+P235
  • 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);
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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;
  • 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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
UN Number UN2810 UN 2810 6.1/PG 1
Packing GroupI
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - chromodacryorrhea
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,185,1992

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >1290 mg/m3/1H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,185,1992

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 80 nL/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 116,217,1983

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 方法一:由间二氟苯硝化得到。
  • Nucleophilic aromatic substitution of 2,4-difluoronitrobenzene with morpholine has been investigated using flow reactor with simulated moving bed (SMB) chromatography module.
  • 用途一:是药物氟苯布洛芬中间体,也用作农药、液晶材料中间体
  • 上游原料:1,3-二氟苯
  • Alfa Aesar:2,4-二氟-1-硝基苯,98% 2,4-Difluoro-1-nitrobenzene, 98%(446-35-5)
  • 蒸气密度:>;1 (vs air)
  • 2,4-二氟硝基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1636 2,4-二氟硝基苯 2,4-Difluoronitrobenzene 25G 180元 2014/06/02 D1636 2,4-二氟硝基苯 2,4-Difluoronitrobenzene 500G 1380元 2010/06/21 214480050 2,4-二氟硝基苯 2,4-Difluoronitrobenzene 99% 5 ML 153元
  • MOL 文件:446-35-5.mol
  • Hazard Note:Irritant
  • Sigma Aldrich:446-35-5(sigmaaldrich)
  • MSDS 信息:2,4-Difluoronitrobenzene(446-35-5).msds
  • Acros Organics:2,4-二氟硝基苯 2,4-Difluoronitrobenzene, 99%(446-35-5)
  • 下游产品:2,4-二氟苯胺 --> 5-氟吲哚-2-酮
  • 用途二:医药中间体。
  • TCI Shanghai:2,4-二氟硝基苯 2,4-Difluoronitrobenzene,>;98.0%(GC)(446-35-5)
  • TSCA:T
  • 图谱信息:2,4-二氟硝基苯(446-35-5)质谱(MS) 2,4-二氟硝基苯(446-35-5)红外图谱(IR1) 2,4-二氟硝基苯(446-35-5)核磁图( 1 HNMR) 2,4-二氟硝基苯(446-35-5)核磁图( 13 CNMR)

系列性分类


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