4-Nitrobenzyl Chloride 4-硝基苄氯

CAS 100-14-1 MFCD00007374

化学结构图

100-14-1
SMILES: O=[N+]([O-])c1ccc(CCl)cc1

化学属性

Mol. FormulaC7H6ClNO2
Mol. Weight172
Density1.33
Melting Point70-73
TSCAYes
Boiling Point112°C
Solubility不溶于水,溶于乙醇、乙醚,易溶于丙酮、苯。

别名和识别编码

Chemical Name4-Nitrobenzyl Chloride
CAS Number100-14-1
EC Number202-822-7
Beilstein Registry Number387187
MDL NumberMFCD00007374
Synonym -Chloro-4-nitrotoluene 1-(Chloromethyl)-4-nitrobenzene 1-(chloromethyl)-4-nitro-Benzene 1-(chloromethyl)-4-nitro-benzen 1-(氯甲基)-4-硝基苯 1-Chlormethyl-4-nitrobenzol 1-chloromethyl-4-nitro-benzen 1-chloromethyl-4-nitro-benzene 4-(Chloromethyl)nitrobenzene 4-NITROBENZYL CHLORIDE 4-Nitrobenzyl chloride 4-Nitrobenzylchlorid 4-Nitrophenylmethyl chloride 4-nitro-benzyl chloride 4-nitrobenzylchloride[qr] 4-硝基氯化苄 4-硝基氯苄 4-硝基苄基氯 4-硝基苄氯 p-(Chloromethyl)nitrobenzene p-Nitrobenzylchlorid p-Nitrobenzylchloride A-CHLORO-P-NITROTOLUENE A-Chlor-p-nitrotoluol AKOS BBS-00003951 ALPHA-CHLORO-4-NITROTOL
PubChem Substance ID7482
Reaxys-RN387187
Chemical Name Translation4-硝基苄氯
Wiswesser Line NotationWNR D1G
LabNetwork Molecule IDLN00007973
InChIInChI=1S/C7H6ClNO2/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} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beilstein:5,329
  • Reagent for carboxyl protection in peptide synthesis. Derivatives are stable to HBr, but cleaved by hydrogenolysis: J. Am. Chem. Soc., 81, 5691 (1959); J. Chem. Soc., 4922 (1965). See also 4-Nitrobenzyl­ alcohol, A15742, 4-Nitrobenzyl­ bromide, A15236, and Appendix 6.
  • Short: IV/1a
  • Short: III/20b
  • Reagent for carboxyl protection in peptide synthesis. Derivatives are stable to HBr, but cleaved by hydrogenolysis: J. Am. Chem. Soc., 81, 5691 (1959); J. Chem. Soc., 4922 (1965). See also 4-Nitro
  • Short: EINECS
  • Has also been used for protection of the thiol group: J. Org. Chem., 37, 3550 (1972); J. Chem. Soc., Chem. Commun., 12 (1974).

安全信息

Signal word Danger
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
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
Precautionary statements
  • 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。
  • 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。
  • 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+P330+P331+P310
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302 Harmful if swallowed 吞食有害
RTECSXS9093000
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
Packing GroupII
UN Number 3261 UN 3261 8/PG 2
Hazard Codes 8 C
Hazard Class8
Warnings 危化品目录(2015)
TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 280 mg/m3/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOXID9 Toxicologist.  (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway,
   Akron, OH 44311) V.1-    1981-  Volume(issue)/page/year: 4,66,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1809 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   INHTE5 Inhalation Toxicology.  (Hemisphere Publishing Corp., c/o Taylor &
   Francis Inc., 1900 Frost Rd., Suite 101, Bristol, PA 19007)  V.1-    1989-
   Volume(issue)/page/year: 3,265,1991

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 100 umol/L
REFERENCE :
   JJATDK JAT, Journal of Applied Toxicology.  (John Wiley & Sons Ltd., Baffins
   Lane, Chichester, W. Sussex PO19 1UD, UK)  V.1-    1981-
   Volume(issue)/page/year: 3,203,1983

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   NTPTB* NTP Technical Bulletin.  (National Toxicology Program, Landow Bldg.
   3A-06, 7910 Woodmont Ave., Bethesda, MD 20205)  Volume(issue)/page/year:
   APR1982

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 5 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 170,11,1986

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 50 ug/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 170,11,1986

Restrict 危险品

其他信息

  • 下游产品:4-(4-甲基哌嗪-1-基甲基)苯胺
  • 用途三:alpha-Chloro-p-nitrotoluene
  • 灭火剂:二氧化碳、泡沫、砂土、雾状水。
  • 急性毒性:口服-大鼠 LD50: 1809 毫克/公斤
  • 包装:25公斤/纸板桶
  • 1-(氯甲基)-4-硝基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80091324 4-硝基氯化苄;对硝基氯化苄; 对硝基苯氯甲烷; 对硝基苄基氯; α-氯代对硝基甲苯 25g 81元 2011/04/16 C0229 4-硝基苄氯 4-Nitrobenzyl Chloride 25G 543元 2011/04/16 C0229 4-硝基苄氯 4-Nitrobenzyl Chloride 250G 2800元
  • 图谱信息:1-(氯甲基)-4-硝基苯(100-14-1)核磁图( 1 HNMR) 1-(氯甲基)-4-硝基苯(100-14-1)核磁图( 13 CNMR) 1-(氯甲基)-4-硝基苯(100-14-1)Raman光谱 1-(氯甲基)-4-硝基苯(100-14-1)质谱(MS) 1-(氯甲基)-4-硝基苯(100-14-1)红外图谱(IR2) 1-(氯甲基)-4-硝基苯(100-14-1)红外图谱(IR1)
  • 类别:有毒物品
  • 毒性分级:中毒
  • 用途二:用作医药中间体
  • TCI Shanghai:4-硝基苄氯 4-Nitrobenzyl Chloride,>;98.0%(GC)(100-14-1)
  • 可燃性危险特性:明火可燃; 燃烧释放有毒氮氧化物和氯化物烟雾
  • MOL 文件:100-14-1.mol
  • Acros Organics:4-硝基苄氯 4-Nitrobenzyl chloride, 99%(100-14-1)
  • Alfa Aesar:4-硝基苄氯,99% 4-Nitrobenzyl chloride, 99%(100-14-1)
  • 用途一:用于有机合成
  • F:4.8-19-21
  • MSDS 信息:4-硝基苄氯(100-14-1).msds
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • 外观:白色结晶
  • Sigma Aldrich:100-14-1(sigmaaldrich)

系列性分类


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