2-Nitrophenylacetic acid 2-硝基苯乙酸

CAS 3740-52-1 MFCD00007190

化学结构图

3740-52-1
SMILES: O=C(O)Cc1ccccc1[N+](=O)[O-]

化学属性

Mol. FormulaC8H7NO4
Mol. Weight181.15
Melting Point137-140°C
TSCAYes
Boiling Point345.1°C at 760 mmHg

别名和识别编码

Chemical Name2-Nitrophenylacetic Acid
CAS Number3740-52-1
Alfabeta NameNITROPHENYLACETICACID 2()-
MDL NumberMFCD00007190
Synonym 2-(2-Nitrophenyl)acetic acid {LY} 2-(2-Nitrophenyl)acetic acid 2-nitrophenylacetic acid o-nitrophenylacetic acid {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {} {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {} {} {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(2-Nitrophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(2-Nitro
PubChem Substance ID77337
Beilstein Registry Number1959243
EC Number223-128-0
Reaxys-RN1959243
Chemical Name Translation2-硝基苯乙酸
Wiswesser Line NotationWNR B1VQ
LabNetwork Molecule IDLN00159158
InChIInChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)
Canonical SMILESC1=CC=CC(=C1[N+](=O)[O-])CC(O)=O
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分类

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

相关文献及参考

  • 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
WGK Germany3
GHS Symbol
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。
  • P264+P265
  • 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。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P350
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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
RTECSAJ1130000
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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
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
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
Hazard Codes Xn Xi Xi,Xn
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 5 mg/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           : 500 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            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 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

其他信息

  • Acros Organics:2-硝基苯乙酸 2-Nitrophenylacetic acid, 99%(3740-52-1)
  • MOL 文件:3740-52-1.mol
  • 海关编码:29163900
  • Sigma Aldrich:3740-52-1(sigmaaldrich)
  • Hazard Note:Irritant
  • 图谱信息:2-硝基苯乙酸(3740-52-1)红外图谱(IR2) 2-硝基苯乙酸(3740-52-1)质谱(MS) 2-硝基苯乙酸(3740-52-1)红外图谱(IR1)
  • TCI Shanghai:2-硝基苯乙酸 2-Nitrophenylacetic Acid,>;99.0%(T)(3740-52-1)
  • MSDS 信息:2-(2-Nitrophenyl)acetic acid(3740-52-1).msds
  • Alfa Aesar:2-硝基苯基乙酸,99% 2-Nitrophenylacetic acid, 99%(3740-52-1)
  • 2-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 N0353 2-硝基苯乙酸 2-Nitrophenylacetic Acid 25G 461元 2010/06/21 157060250 2-硝基苯乙酸 2-Nitrophenylacetic acid 99% 25 GR 388元 2010/06/21 157061000 2-硝基苯乙酸 2-Nitrophenylacetic acid 99% 100 GR 1283元

系列性分类

  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. Aromatic 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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