4-Nitrobenzyl Bromide 对硝基溴苄

CAS 100-11-8 MFCD00007373

化学结构图

100-11-8
SMILES: O=[N+]([O-])c1ccc(CBr)cc1

化学属性

Mol. FormulaO2NC6H4CH2Br
Mol. Weight216
Density1.652
Melting Point98.0 to 101.0 deg-C
TSCAYes
Solubility不溶于水,溶于乙醇、乙醚等多数有机溶剂

别名和识别编码

Chemical Name1-(bromomethyl)-4-nitrobenzene
CAS Number100-11-8
EC Number202-820-6
Beilstein Registry Number5,334
MDL NumberMFCD00007373
Synonym alpha-Bromo-p-nitrotoluene α-Bromo-4-nitrotoluene 4-NITROBENZYL BROMIDE α-溴-4-硝基甲苯 对硝基苯溴甲烷 对硝基苄基溴 -Bromo-4-nitro-toluene 4-硝基苄溴 对硝基溴化苄,1-(溴甲基)-4-硝基苯,对硝基苄基溴,4-硝基溴苄,对硝基溴苄,对硝基苯溴甲烷 4-Nitrobenzylbromid p-(Bromomethyl)nitrobenzene ALPHA-BROMO-P-NITROTOLUENE 5-硝基溴(化)苄 PARA NITRO BENZYL BROMIDE { 4-Bromomethylnitrobenzene 对硝基溴化苄 A-BROMO-P-NITROTOLUENE Benzene, 1-(bromomethyl)-4-nitro- alpha-bromo-p-nitro-toluen 1-(bromomethyl)-4-nitro-benzen 4-nitro-benzyl bromide a-Brom-4-nitrotoluol
PubChem Substance ID87573558
Alfabeta NameNITROBENZYLBROMIDE 4-
Reaxys-RN742796
Chemical Name Translation对硝基溴苄
InChIKeyVOLRSQPSJGXRNJ-UHFFFAOYSA-N
Wiswesser Line NotationWNR D1E
LabNetwork Molecule IDLN00110071
InChIInChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {
  • {SNA} Analytical Reagents, Analytical/Chromatography, Building Blocks, Chemical Synthesis, Derivatization Reagents, Derivatization Reagents HPLC,
  • {SNA} Building Blocks, Chemical Synthesis, Derivatization Reagents, Derivatization Reagents HPLC, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks, UV-VIS, 分析/色谱, 分析试剂
  • {SA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 用作有机分析试剂及有机合成中间体,在医药工业中用于合成甲酰溶肉瘤素等药物。

相关文献及参考

  • Beilstein:5,334
  • Has been used as a protecting reagent for the carboxyl group in peptide synthesis: Helv. Chim. Acta, 42, 972 (1959); see 4-Nitrobenzyl­ chloride, A15749, and Appendix 6. Has also been used in ß-lactam synthesis. Cleavage by sodium sulfide avoids hydrogenolysis problems otherwise encountered with these sulfur-containing nuclei: J. Org. Chem., 43, 1243 (1978).
  • Short: IV/1a
  • Short: EINECS
  • For the protection of alcohols, introduction of the group by the use of silver oxide has been recommended. Selective cleavage can be accomplished with DDQ (2,3-Dichloro-5,6-dicyanobenzoquinone, A11879) or by anodic oxidation. Many other benzyl-type protecting groups are unaffected by these conditions: Tetrahedron Lett., 31, 389 (1990). Indium metal in the presence of ammonium chloride is an effective deprotection system for 4-nitrobenzyl ethers and esters: J. Chem. Soc., Perkin 1, 955 (2001).

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • 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;
  • 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);
Risk Statements
Precautionary statements
  • 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。
  • P303+P361+P353+P310+P363
  • P390 Absorb spillage to prevent material damage. 吸收溢出物,防止重大损害。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P303+P361+P353
  • P405 Store locked up. 上锁保管。
  • P234 Keep only in original container. 只保留在原来的容器中。
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P304+P340+P310
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • 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。
  • P305+P351+P338+P310
  • P301+P330+P331+P310
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSXS7967000
Packing GroupII
UN Number UN 3261 8/PG 2 3261
Hazard Codes C C,Xi
Warnings 危化品目录(2015) IRRITANT
Hazard Class8
Storage condition Store at RT.
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#07695

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 10 umol/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 3,11,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 348,137,1995

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 5 umol/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 3,11,1981

Restrict 危险品

其他信息

  • Sigma Aldrich:100-11-8(sigmaaldrich)
  • 图谱信息:对硝基溴化苄(100-11-8)核磁图( 13 CNMR) 对硝基溴化苄(100-11-8)核磁图( 1 HNMR) 对硝基溴化苄(100-11-8)Raman光谱 对硝基溴化苄(100-11-8)质谱(MS) 对硝基溴化苄(100-11-8)红外图谱(IR2) 对硝基溴化苄(100-11-8)红外图谱(IR1)
  • 毒性分级:中毒
  • 对硝基溴化苄价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80091214 4-硝基溴化苄;对硝基苄基溴; α-溴代对硝基甲苯; 对硝基溴化苄; 对硝基苯溴甲烷; 对硝基苯甲基溴 25g 99元 2011/04/16 N0181 4-硝基苄溴 4-Nitrobenzyl Bromide 500G 3370元 2011/04/16 N0181 4-硝基苄溴 4-Nitrobenzyl Bromide 25G 492元
  • 上游原料:4-硝基甲苯
  • F:10-19-21
  • MSDS 信息:4-硝基溴化苄(100-11-8).msds
  • 用途五:用作有机分析试剂及有机合成中间体,在医药工业中用于合成甲酰溶肉瘤素等药物。
  • 类别:有毒物品
  • 可燃性危险特性:明火可燃; 受热分解释出有毒溴化物和氮氧化物气体
  • 燃烧(分解)产物:一氧化碳、二氧化碳、氧化氮、溴化氢。
  • 不溶于水,溶于DMF、醋酸异丙酯和丙酮。
  • 方法二:由对硝基甲苯溴化而得。
  • Alfa Aesar:4-硝基溴苄,97+% 4-Nitrobenzyl bromide, 97+%(100-11-8)
  • TCI Shanghai:4-硝基苄溴 4-Nitrobenzyl Bromide,>;98.0%(GC)(T)(100-11-8)
  • 用途二:是有机合成原料及医药、染料中间体
  • 海关编码:29049085
  • 方法一:制备方法是由对硝基甲苯溴化,得到对硝基苄基溴。
  • 包装:25KG纸板桶
  • 灭火剂:二氧化碳、砂土、泡沫、雾状水
  • 用途三:对硝基苄基溴又名对硝基溴苄、对硝基苯甲基溴,是一种有机合成中间体,在农药上用于合成杀虫剂氟环脲,此外也作为医药、染料中间体、通用试剂和有机分析试剂。
  • 用途四:作用有机合成中间体,在医药工业中用于合成甲酰溶肉瘤素等药物。
  • MOL 文件:100-11-8.mol
  • 急性毒性:静注-小鼠 LD50: 56 毫克/立方米
  • 储运特性:库房通风低温干燥; 与食品原料、氧化剂分开储运
  • 下游产品:氟环脲 --> 4-吗啉甲基苯胺 --> 二乙基(4-硝基苯甲基)磷酸盐
  • 外观:无色或浅黄色针状晶体,有催泪性
  • 用途一:用作有机分析试剂及染料中间体
  • Acros Organics:对硝基苄溴 4-Nitrobenzyl bromide, 99%(100-11-8)
  • Hazard Note:Irritant/Corrosive

系列性分类


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