3-Nitrophenylacetic Acid 3-硝基苯乙酸

CAS 1877-73-2 MFCD00007278

化学结构图

1877-73-2
SMILES: O=C(O)Cc1cccc([N+](=O)[O-])c1

化学属性

Mol. FormulaC8H7NO4
Mol. Weight181
Density1.422
Melting Point116-120
TSCANo
pH:A

别名和识别编码

Chemical Name3-Nitrophenylacetic Acid
CAS Number1877-73-2
Alfabeta NameNITROPHENYLACETICACID 3()-
MDL NumberMFCD00007278
Synonym {uni_hamburg} 3-Nitrophenylacetic Acid (m-Nitrophenyl)acetic Acid 3-Nitro-phenylessigsäure 3-Nitrophenylessigsäure 3-Nitro-benzeneacetic Acid RARECHEM AL BO 0446 Benzeneacetic acid, 3-nitro- 3-NITROPHENYLACETIC ACID 3-nitro-benzeneaceticaci 3-Nitrobenzeneacetic Acid 3-NITROPHENYLACETIC ACID, 98+% 3-Nitrobenzeneacetic acid 3-Nitrophenylessigsαure 3-Nitrophenylacetic acid (3-Nitro-phenyl)-acetic acid (M-NITROPHENYL)ACETIC ACID 3-nitrobenzeneaceticacid 3-nitrophenylacetic acid m-Nitrophenylacetic acid (m-nitrophenyl)-aceticaci (m-Nitrophenyl)acetic acid m-Nitrobenzeneacetic acid. NSC 93911 Benzeneaceticacid,3-nitro- 3-硝基苯乙酸
EC Number217-512-7
Beilstein Registry Number2050088
PubChem Substance ID87573777
Reaxys-RN2050088
Chemical Name Translation3-硝基苯乙酸
InChIKeyWUKHOVCMWXMOOA-UHFFFAOYSA-N
LabNetwork Molecule IDLN00173440
InChIInChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)
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分类

  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • A useful synthetic intermediate.

相关文献及参考

  • Strazzolini, P., et al.: J. Org. Chem., 63, 952 (1998)
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
Signal word Warning
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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
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
  • 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。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
RTECSAJ1129900
Hazard statements
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi 
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

其他信息

  • Sigma Aldrich:1877-73-2(sigmaaldrich)
  • Alfa Aesar:3-硝基苯乙酸,99% 3-Nitrophenylacetic acid, 99%(1877-73-2)
  • 下游产品:
  • 图谱信息:3-硝基苯乙酸(1877-73-2)核磁图( 1 HNMR) 3-硝基苯乙酸(1877-73-2)质谱(MS) 3-硝基苯乙酸(1877-73-2)核磁图( 13 CNMR) 3-硝基苯乙酸(1877-73-2)红外图谱(IR1) 3-硝基苯乙酸(1877-73-2)红外图谱(IR2)
  • MOL 文件:1877-73-2.mol
  • Acros Organics:3-硝基苯乙酸 3-Nitrophenylacetic acid, 99%(1877-73-2)
  • 3-硝基苯乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0442 3-硝基苯乙酸 3-Nitrophenylacetic Acid 5G 1670元 2014/06/02 N0442 3-硝基苯乙酸 3-Nitrophenylacetic Acid 1G 519元 2010/06/21 147050250 3-硝基苯乙酸 3-Nitrophenylacetic acid 99% 25 GR 8927元
  • TCI Shanghai:3-硝基苯乙酸 3-Nitrophenylacetic Acid,>;98.0%(T)(1877-73-2)
  • 上游原料:四氢呋喃 --> 镁 --> 二氧化碳 --> 3-硝基溴苄

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C8 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C8 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C7

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