4-Nitrobenzaldehyde 对硝基苯甲醛

CAS 555-16-8 MFCD00007346

化学结构图

555-16-8
SMILES: O=Cc1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC7H5NO3
Mol. Weight151.12
Density1.338
Melting Point103-106°C
TSCAYes
Solubility不溶于水,微溶于乙醚,易溶于乙醇、苯。
Stability对空气敏感
Boiling Point299.6°C at 760 mmHg
RedoxOxidation

别名和识别编码

Chemical Name4-Nitrobenzaldehyde
Synonym 4-Nitrobenzaldehyde {LY} 4-Nitrobenzaldehyde {} {LY} 4-Nitrobenzaldehyde {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number555-16-8
EC Number209-084-5
Beilstein Registry Number386796
MDL NumberMFCD00007346
Merck Number6587
PubChem Substance ID541
Reaxys-RN386796
Chemical Name Translation对硝基苯甲醛
Wiswesser Line NotationWNR DVH
InChIKeyBXRFQSNOROATLV-UHFFFAOYSA-N
LabNetwork Molecule IDLN00008497
InChIInChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
Canonical SMILESO=CC1=CC=C([N+]([O-])=O)C=C1
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分类

  • {SA} Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks, Spectroscopy, UV/Vis Reagents, UV/Visible (UV/VIS) Spectroscopy, 分析/色谱, 分析试剂
  • {SNA} Aldehydes, Analytical Reagents, Analytical/Chromatography, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks, Spectroscopy,

产品应用

  • 检验芳香族伯胺(根据伯胺与本品所形成的缩合物的熔点检别),有机合成。该品为染料、医药等有机合成的中间体,在医药工业中用来生产对 硝基苯丁烯酮(氯霉素)。

相关文献及参考

  • Short: II/27B
  • Merck:14,6587
  • Merck:14,6587 Beilstein:7(4)598
  • Short: III/20a
  • 1,3-Oxathiolanes (see 2-Mercaptoethanol, A15890) can be selectively cleaved in the presence of dithioacetals using 4-nitrobenzaldehyde catalyzed by TMS-OTf: J. Chem. Soc., Chem. Commun., 1937 (1994). This combination has been used for conversion of thioketones to ketones: Tetrahedron Lett., 36, 2277 (1995).

安全信息

Signal word
GHS Symbol
WGK Germany2
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P332+P313
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P305+P351+P338+P337+P313
  • P337+P313
  • P302+P350
  • 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。
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H303 May be harmfully swallowed 吞食可能有害
RTECSCU7350000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under ni
Hazard Codes Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 545 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HINEL* Hine Laboratories Reports.  (San Francisco, CA)
   Volume(issue)/page/year: AF33(657)-11756,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4700 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - cyanosis
   Blood - normocytic anemia
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 24(9),15,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 16 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - cyanosis
   Blood - normocytic anemia
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 24(9),15,1959

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 500 ug/plate
REFERENCE :
   SAIGBL Sangyo Igaku.  Japanese Journal of Industrial Health.  (Nippon Sangyo
   Eisei Igakkai, Kosu Eisei Bldg., 1-29-8, Shinjuku, Shinjuku-ku, Tokyo 160,
   Japan)  V.1-    1959-  Volume(issue)/page/year: 29,34,1987

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 500 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

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 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

其他信息

  • 用途三:检验芳香族伯胺(根据伯胺与本品所形成的缩合物的熔点检别),有机合成。该品为染料、医药等有机合成的中间体,在医药工业中用来生产对 硝基苯丁烯酮(氯霉素)。
  • 图谱信息:对硝基苯甲醛(555-16-8)红外图谱(IR2) 对硝基苯甲醛(555-16-8)质谱(MS) 对硝基苯甲醛(555-16-8)红外图谱(IR1) 对硝基苯甲醛(555-16-8)核磁图( 1 HNMR) 对硝基苯甲醛(555-16-8)核磁图( 13 CNMR)
  • 用途一:用于制备染料、医药等
  • 上游原料:硝酸 --> 溴 --> 4-硝基甲苯
  • 敏感性:Air Sensitive
  • MOL 文件:555-16-8.mol
  • Alfa Aesar:对硝基苯甲醛,99% 4-Nitrobenzaldehyde, 99%(555-16-8)
  • 海关编码:29130000
  • 对硝基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010196 4-硝基苯甲醛;对硝基苯甲醛 100g 235元 2011/08/23 A13017602 4-硝基苯甲醛;对硝基苯甲醛 25g 500元 2011/08/23 LA1165501 4-硝基苯甲醛;对硝基苯甲醛 25g 375元
  • 方法一:以对硝基甲苯、乙酐为原料,经氧化、水解而得。
  • Hazard Note:Irritant
  • 用途二:该品为染料、医药等有机合成的中间体,在医药工业中用来生产硝基苯丁烯酮。
  • Acros Organics:对硝基苯甲醛 4-Nitrobenzaldehyde, 99%(555-16-8)
  • TCI Shanghai:4-硝基苯甲醛 4-Nitrobenzaldehyde,>;95.0%(GC)(555-16-8)
  • 外观性质:白色或淡黄色晶体。
  • MSDS 信息:对硝基苯甲醛(555-16-8).msds
  • 能升华,在水蒸气中微有挥发。能溶于醇、苯和冰乙酸,微溶于水和醚。低毒,半数致死量(大鼠,经口)4700mg/kg。有刺激性。
  • 检测方法:GC,NMR
  • 下游产品:氯霉素 --> 4-硝基苯乙烯 --> 3-(4-硝基苯基)丙酸 --> 3-(4-硝基苯基)-1-丙醇 --> 4-(对硝基苯)-3-丁烯酮-2
  • Sigma Aldrich:555-16-8(sigmaaldrich)

系列性分类