3-Methyl-4-nitrophenol 3-甲基-4-硝基苯酚

CAS 2581-34-2 MFCD00007333

化学结构图

2581-34-2
SMILES: Cc1cc(O)ccc1[N+](=O)[O-]

化学属性

Mol. FormulaC7H7NO3
Mol. Weight153.14
Melting Point125-130°C
Density1.422
TSCAYes
Flash Point110℃
Appearance 针状或柱状黄色结晶。遇空气、光照也不变色。熔点128-129℃，沸点200℃（分解），闪点110℃，着火点455℃。极易溶于乙醇、乙醚、氯仿和苯，难溶于冷水。其钠盐和钾盐都是含2分子结晶水的黄色叶状晶体。
Boiling Point304.8°C at 760 mmHg
Solubility极易溶于乙醇、乙醚、氯仿和苯。难溶于冷水。

别名和识别编码

Chemical Name3-Methyl-4-Nitrophenol
CAS Number2581-34-2
Alfabeta NameMETHYLNITROPHENOL 34---
MDL NumberMFCD00007333
Synonym 3-Methyl-4-nitrophenol {LY} 3-Methyl-4-nitrophenol 3-methyl-4-nitrophenol 4-nitro-3-cresol 4-nitro-3-cresol, sodium salt p-nitro-m-cresol {} {LY} 3-Methyl-4-nitrophenol {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number219-952-5
Beilstein Registry Number1868105
PubChem Substance ID17412
Chemical Name Translation3-甲基-4-硝基苯酚
Reaxys-RN1868105
Wiswesser Line NotationWNR DQ B1
LabNetwork Molecule IDLN00173742
InChIInChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3
Canonical SMILESOC1=CC=C([N+]([O-])=O)C(C)=C1
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分类

  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 有机磷类杀虫剂

相关文献及参考

  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 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 Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • 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
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P203
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P308+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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
  • P318
  • 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。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSGP2625000
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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 6.1 Xn
UN Number 2446 UN 2446 6.1/PG 3
Packing GroupIII
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 15 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCBPBS Pesticide Biochemistry and Physiology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1971-  Volume(issue)/page/year:
   8,302,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 27,1054,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 90 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCBPBS Pesticide Biochemistry and Physiology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1971-  Volume(issue)/page/year:
   8,302,1978

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 2500 mg/kg/10W (Intermittent)
REFERENCE :
   EESADV Ecotoxicology and Environmental Safety.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1977-  Volume(issue)/page/year:
   9,47,1985

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 方法一:对硝基间甲酚的制备方法有亚硝化氧化法和一步硝化法。因一步硝化法耗酚量较大，成本较高，故工业上采用亚硝化氧化法。反应方程式见图 在亚硝化釜中加入预先配制好的稀硝酸，在强搅拌及低温下滴加问甲酚及亚硝酸钠混合液。加完后保持低温反应一定时间，将物料放入氧化釜内缓缓升温进行氧化。用Na 2 CO 3 液吸收大量放出的NO x ，当氧化釜内温度升到47℃时，NO x 释放殆净，降温到25℃以下，放入离心机进行离心分离，得到粗品4-硝。计量分析后加入精制釜内，经甲苯升温溶解，低温结晶后，再在防爆离心机中进行分离，即得到精4-硝。
  • 4-硝基间甲苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0351 4-硝基间甲酚 4-Nitro-m-cresol 25G 347元 2014/06/02 N0351 4-硝基间甲酚 4-Nitro-m-cresol 500G 2130元 2010/06/21 127301000 4-硝基间甲苯酚 3-Methyl-4-nitrophenol 98% 100 GR 945元
  • 用途一:用作医药中间体
  • 方法二:以间甲酚为原料，可用亚硝化氧化法或直接硝化法制取。1.盐酸亚硝化氧化法将间甲酚与15%盐酸、亚硝酸钠、氢氧化钠在反应温度（0±3）℃下进行反应，制得亚硝基化合物。再在38%硝酸中于（40±2）℃时进行氧化，即得。产率87%。2.硝酸一步法将间甲酚滴加于-5～0℃的20%硝酸和40%亚硝酸钠溶液中，搅拌10分钟后，升温至30℃并保温2h，即得。产率99%。另外还有一种称为羟基保护硝化的方法。
  • Alfa Aesar:3-甲基-4-硝基苯酚,98% 3-Methyl-4-nitrophenol, 98%(2581-34-2)
  • 用途二:对硝基间甲酚又称3-甲基-4-硝基苯酚(3-methyl-4-nitrophenol)，简称4-硝，是有机磷杀虫剂杀螟硫磷的中间体。
  • Sigma Aldrich:2581-34-2(sigmaaldrich)
  • 上游原料:硝酸 --> 间甲酚 --> 盐酸亚
  • MOL 文件:2581-34-2.mol
  • 图谱信息:4-硝基间甲苯酚(2581-34-2)核磁图( 1 HNMR) 4-硝基间甲苯酚(2581-34-2)质谱(MS) 4-硝基间甲苯酚(2581-34-2)红外图谱(IR2) 4-硝基间甲苯酚(2581-34-2)Raman光谱 4-硝基间甲苯酚(2581-34-2)核磁图( 13 CNMR) 4-硝基间甲苯酚(2581-34-2)红外图谱(IR1)
  • TCI Shanghai:4-硝基间甲基苯酚 4-Nitro-m-cresol,>;98.0%(GC)(T)(2581-34-2)
  • 用途三:用途较广，主要用来制造农药杀螟松（一种高效、低毒、低残留的优良有机磷杀虫剂）。
  • 下游产品:杀螟松 --> 2-甲基-4-甲氧基苯胺 --> 5-甲氧基-1H-吲唑 --> 5-甲氧基-2-硝基苯甲酸 --> 5-羟基吲哚 --> 3-甲基-4-硝基苯甲醚
  • Acros Organics:3-甲基-4-硝基苯酚 3-Methyl-4-nitrophenol, 98%(2581-34-2)
  • MSDS 信息:3-Methyl-4-nitrophenol(2581-34-2).msds
  • 海关编码:29089000

系列性分类

  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. 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. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Pesticides & Metabolites - Environmental Standards
  6. Metabolites - Pesticides & Metabolites
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  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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