3-Methyl-2-Nitrophenol 3-甲基-2-硝基苯酚

CAS 4920-77-8 MFCD00007125

化学结构图

4920-77-8
SMILES: Cc1cccc(O)c1[N+](=O)[O-]

化学属性

Mol. FormulaC7H7NO3
Mol. Weight153.14
Density1.422
Boiling Point106-108 °C at 9.5 mmHg
Melting Point35-39°C
Flash Point107 ºC
Appearance 黄色结晶。熔点37-39℃。

别名和识别编码

Chemical Name3-Methyl-2-Nitrophenol
CAS Number4920-77-8
Alfabeta NameNITROMETHYLPHENOL 23---
MDL NumberMFCD00007125
Synonym 2-Nitro-3-methylphenol {LY} 2-Nitro-3-methylphenol {} {LY} 2-Nitro-3-methylphenol {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ni
EC Number225-546-9
Beilstein Registry Number6(4)2075
PubChem Substance ID21026
Chemical Name Translation3-甲基-2-硝基苯酚
Reaxys-RN2047479
LabNetwork Molecule IDLN00008938
InChIInChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3
Canonical SMILESOC1=CC=CC(C)=C1[N+]([O-])=O
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分类

  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment

产品应用

  • A nitrophenol derivative as antitumor

相关文献及参考

  • Dimmock, et al.: J. Sci. Food Agric., 18, 368
  • 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: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 pages
  • 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
GHS Symbol
WGK Germany3
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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
  • 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
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
  • 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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P312
  • P301+P312+P330
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P312
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • 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
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • 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 Xn Xn,Xi
UN Number 2446 UN 2446 6.1/PG 3
Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupIII
Hazard Class6.1

其他信息

  • 3-甲基-2-硝基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0552 2-硝基间甲酚 2-Nitro-m-cresol 5G 984元 2014/06/02 N0552 2-硝基间甲酚 2-Nitro-m-cresol 25G 2570元 2010/06/21 171090050 3-甲基-2-硝基苯酚 3-Methyl-2-nitrophenol 97% 5 GR 1327元
  • Sigma Aldrich:4920-77-8(sigmaaldrich)
  • 下游产品:2-氨基-3-甲氧基苯甲酸 --> 7-羟基吲哚
  • 图谱信息:3-甲基-2-硝基苯酚(4920-77-8)质谱(MS) 3-甲基-2-硝基苯酚(4920-77-8)红外图谱(IR3) 3-甲基-2-硝基苯酚(4920-77-8)核磁图( 13 CNMR) 3-甲基-2-硝基苯酚(4920-77-8)核磁图( 1 HNMR) 3-甲基-2-硝基苯酚(4920-77-8)红外图谱(IR2) 3-甲基-2-硝基苯酚(4920-77-8)红外图谱(IR1)
  • 检测方法:HPLC
  • Hazard Note:Harmful/Irritant
  • MOL 文件:4920-77-8.mol
  • F:10
  • TCI Shanghai:2-硝基间甲苯酚 2-Nitro-m-cresol,>;98.0%(GC)(T)(4920-77-8)
  • MSDS 信息:2-Nitro-3-methylphenol(4920-77-8).msds
  • Acros Organics:3-甲基-2-硝基苯酚 3-Methyl-2-nitrophenol, 97%(4920-77-8)

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. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  6. C6 to C8 - Phenols
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Protected Alcohols/Phenols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers

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