2-Methoxy-5-nitroaniline 2-甲氧基-5-硝基苯胺

CAS 99-59-2 MFCD00007261

化学结构图

99-59-2
SMILES: COc1ccc([N+](=O)[O-])cc1N

化学属性

Mol. FormulaC7H8N2O3
Mol. Weight168.15
Melting Point117-119°C
TSCAYes
Appearance 橙红色针状晶体。 易溶于丙酮、甲醇、乙醇、苯、乙酸乙酯等。不溶于石油醚。
SolubilitySlightly soluble. <0.01 g/100 mL at 19.5 °C
Density1.2068
Boiling Point337.07 °C at 760 mmHg

别名和识别编码

Chemical Name2-Methoxy-5-nitroaniline
Synonym 2-Methoxy-5-nitroaniline {LY} 2-Methoxy-5-nitroaniline {} {LY} 2-Methoxy-5-nitroaniline {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {} {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxy-5-nitroaniline {} {} {} {} {}
MDL NumberMFCD00007261
PubChem Substance ID7447
CAS Number99-59-2
EC Number202-770-5
Beilstein Registry Number13,389
Chemical Name Translation2-甲氧基-5-硝基苯胺
Reaxys-RN879620
Wiswesser Line NotationWNR CZ DO1
LabNetwork Molecule IDLN00238075
InChIInChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3
Canonical SMILESNC1=CC([N+]([O-])=O)=CC=C1OC
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分类

  • Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {SA} Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beil. 13 ,389
  • Aldrich MSDS 1 , 1188:B / Corp MSDS 1 (2), 2259:A / FT-IR 2 (2), 2309:C / FT-IR 1 (1), 1368:A / FT-NMR 1 (2), 746:C / IR-Spectra (2), 724:F / IR-Spectra (3), 826:G / NMR-Reference 2 (1), 1171:C / RegBook 1 (1), 1585:F / Sax 6 , 2008 / Structure Index 1 , 247:D:3

安全信息

WGK Germany2
GHS Symbol
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。
  • 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。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • 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
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P301+P312+P330
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
  • H303 May be harmfully swallowed 吞食可能有害
Hazard Codes Xi,Xn Xi
RTECSBZ7175000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4368 gm/kg/78W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Endocrine - tumors
   Skin and Appendages - tumors
REFERENCE :
   IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
   to Man.  (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
   V.1-    1972-  Volume(issue)/page/year: 27,133,1982

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4368 gm/kg/78W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
   to Man.  (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 524 gm/kg/78W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-127,1978

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 413 gm/kg/78W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-127,1978

TYPE OF TEST

{haz

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1060 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 25(8),50,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(3),48,1988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(3),48,1988

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 umol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,11,1978

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:99-59-2(sigmaaldrich)
  • TCI Shanghai:2-甲氧基-5-硝基苯胺 2-Methoxy-5-nitroaniline,>;98.0%(LC)(T)(99-59-2)
  • MOL 文件:99-59-2.mol
  • 色指数:37130
  • 上游原料:2,4-二硝基氯苯 --> 碱性橙 2 --> 二硫化钠 --> 2,4-二硝基苯甲醚 --> 酚酞试纸
  • 用途一:用作染料、颜料及有机合成中间体
  • 用途二:用作染料中间体。
  • 图谱信息:2-氨基-4-硝基苯甲醚(99-59-2)核磁图( 13 CNMR) 2-氨基-4-硝基苯甲醚(99-59-2)质谱(MS) 2-氨基-4-硝基苯甲醚(99-59-2)红外图谱(IR2) 2-氨基-4-硝基苯甲醚(99-59-2)核磁图( 1 HNMR) 2-氨基-4-硝基苯甲醚(99-59-2)红外图谱(IR1)
  • Hazard Note:Irritant
  • MSDS 信息:Azoamine Scarlet K(99-59-2).msds
  • 下游产品:弱酸性棕 R
  • Alfa Aesar:2-甲氧基-5-硝基苯胺,98+% 2-Methoxy-5-nitroaniline, 98+%(99-59-2)
  • 方法一:由2,4-二硝基氯苯经甲氧基化、还原而得。1.甲氧基化将熔融的2,4-二硝基氯苯加入反应锅,再加入甲醇。加热至40℃左右,在4h内先快后慢地加入30%氢氧化钠溶液,温度控制在58-60℃。反应至酚酞试纸对料液显橘红色时为终点,得2,4-二硝基苯甲醚,收率为95%。2.还原将上述甲氧基化生成物冷至30℃,在4h内先快后慢地加入18%的二硫化钠溶液,反应温度从30℃逐度上升至50℃。加完后在50-55℃保温半小时。反应完成后冷却至20℃,压滤、洗涤、干燥,得2-甲氧基-5-硝基苯胺。收率为76%。
  • Acros Organics:2-甲氧基-5-硝基苯胺 2-Methoxy-5-nitroaniline, 99%(99-59-2)
  • 2-氨基-4-硝基苯甲醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0492 2-甲氧基-5-硝基苯胺 2-Methoxy-5-nitroaniline 25G 143元 2010/06/21 171300050 2-氨基-4-硝基苯甲醚 2-Methoxy-5-nitroaniline 99% 5 GR 209元 2010/06/16 M0492 2-甲氧基-5-硝基苯胺 2-Methoxy-5-nitroaniline 500G 1770元

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