- One pot process for the conversion of aroyl chlorides to acyl thioureas, India, , ,
Cas no 94045-97-3 (2-nitro-3,5,6-Trimethylphenol)
2-Nitro-3,5,6-trimethylphenol is a nitrated phenolic compound characterized by its distinct molecular structure featuring nitro and methyl substituents on an aromatic ring. This compound is primarily utilized in organic synthesis and intermediate applications due to its reactivity and functional group compatibility. The presence of electron-withdrawing (nitro) and electron-donating (methyl) groups enhances its utility in selective chemical transformations, such as electrophilic substitutions or reductions. Its stable crystalline form and well-defined properties make it suitable for controlled reactions in fine chemical and pharmaceutical manufacturing. Careful handling is advised due to potential sensitivity under reactive conditions.
2-nitro-3,5,6-Trimethylphenol structure
Product Name:2-nitro-3,5,6-Trimethylphenol
CAS No:94045-97-3
MF:C9H11NO3
MW:181.188542604446
CID:3025751
PubChem ID:13331244
Update Time:2025-06-07
2-nitro-3,5,6-Trimethylphenol Chemical and Physical Properties
Names and Identifiers
-
- 2-nitro-3,5,6-Trimethylphenol
- 2,3,5-Trimethyl-6-nitrophenol (ACI)
- AS-83811
- 2,3,5-trimethyl-6-nitrophenol
- SCHEMBL2049193
- 94045-97-3
- CS-0168214
-
- Inchi： 1S/C9H11NO3/c1-5-4-6(2)8(10(12)13)9(11)7(5)3/h4,11H,1-3H3
- InChI Key： OUXNBPGXHOTWDU-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(C)=CC(C)=C(C)C=1O)=O
Computed Properties
- Exact Mass: 181.07389321g/mol
- Monoisotopic Mass: 181.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 66?2
2-nitro-3,5,6-Trimethylphenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T915213-250mg |
2,3,5-trimethyl-6-nitrophenol |
94045-97-3 | 95% | 250mg |
2,722.50 | 2021-05-17 | |
| eNovation Chemicals LLC | Y1251911-100mg |
2,3,5-trimethyl-6-nitrophenol |
94045-97-3 | 97% | 100mg |
$65 | 2024-06-06 | |
| eNovation Chemicals LLC | Y1251911-100mg |
2,3,5-trimethyl-6-nitrophenol |
94045-97-3 | 97% | 100mg |
$65 | 2025-02-20 | |
| eNovation Chemicals LLC | Y1251911-1g |
2,3,5-trimethyl-6-nitrophenol |
94045-97-3 | 97% | 1g |
$180 | 2025-02-20 | |
| eNovation Chemicals LLC | Y1251911-250mg |
2,3,5-trimethyl-6-nitrophenol |
94045-97-3 | 97% | 250mg |
$85 | 2025-02-20 | |
| eNovation Chemicals LLC | Y1251911-100mg |
2,3,5-trimethyl-6-nitrophenol |
94045-97-3 | 97% | 100mg |
$65 | 2025-02-19 | |
| eNovation Chemicals LLC | Y1251911-1g |
2,3,5-trimethyl-6-nitrophenol |
94045-97-3 | 97% | 1g |
$180 | 2025-02-19 | |
| eNovation Chemicals LLC | Y1251911-250mg |
2,3,5-trimethyl-6-nitrophenol |
94045-97-3 | 97% | 250mg |
$85 | 2025-02-19 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBS3864-100mg |
2,3,5-trimethyl-6-nitrophenol |
94045-97-3 | 95% | 100mg |
￥108.0 | 2024-04-16 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBS3864-250mg |
2,3,5-trimethyl-6-nitrophenol |
94045-97-3 | 95% | 250mg |
￥259.0 | 2024-04-16 |
2-nitro-3,5,6-Trimethylphenol Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Nitric acid , Sulfuric acid, ammonium nickel(2+) salt (2:2:1) Solvents: Chloroform , Water ; 3 h, 26 °C
Reference
Production Method 2
Reaction Conditions
Reference
- Preparation of (acylamino)phenol derivatives, their inhibition of acyl CoA-cholesterol acyltransferase, and antioxidant activity toward human LDL, France, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: Acetic anhydride , Nitric acid ; 30 min, -60 °C
Reference
- Competitive pseudopericyclic [3,3]- and [3,5]-sigmatropic rearrangements of trichloroacetimidatesSharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M., Journal of Organic Chemistry, 2015, 80(23), 11734-11743
Production Method 4
Reaction Conditions
1.1 Reagents: Sodium nitrate , Hydrochloric acid , Lanthanum nitrate Solvents: Diethyl ether , Water ; 1 h, rt
Reference
- 1,4-Benzoxazine derivatives, and their preparation and use for the treatment or prevention of neurodegenerative diseases, Greece, , ,
Production Method 5
Reaction Conditions
1.1 Reagents: Sodium nitrate , Hydrochloric acid Catalysts: Lanthanum nitrate Solvents: Diethyl ether , Water ; 0 °C; 1 h, rt
Reference
- 5,7,8-Trimethyl-benzopyran and 5,7,8-Trimethyl-1,4-benzoxazine Aminoamide Derivatives as Novel Antiarrhythmics against Ischemia-Reperfusion InjuryKoini, Eftychia N.; Papazafiri, Panagiota; Vassilopoulos, Athanasios; Koufaki, Maria; Horvath, Zoltan; et al, Journal of Medicinal Chemistry, 2009, 52(8), 2328-2340
Production Method 6
Reaction Conditions
1.1 Reagents: Sodium ethoxide Solvents: Ethanol ; rt; 3 h, rt
1.2 Reagents: Hydrogen peroxide Solvents: Water ; < 40 °C; 2 h, < 40 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 4 - 5
1.2 Reagents: Hydrogen peroxide Solvents: Water ; < 40 °C; 2 h, < 40 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 4 - 5
Reference
- Process for preparation of alkyl-o-nitrophenols by sequential cyclization of isonitroso-β-diketones with ketones and peroxide oxidation, Russian Federation, , ,
Production Method 7
Reaction Conditions
1.1 Reagents: Nitric acid Catalysts: Acetic anhydride
Reference
- ipso Nitration. XXIV. Nitration of 2-methylphenols. Formation and rearrangement of 6-methyl-6-nitrocyclohexa-2,4-dienonesCross, Gordon G.; Fischer, Alfred; Henderson, George N.; Smyth, Trevor A., Canadian Journal of Chemistry, 1984, 62(8), 1446-51
2-nitro-3,5,6-Trimethylphenol Raw materials
2-nitro-3,5,6-Trimethylphenol Preparation Products
2-nitro-3,5,6-Trimethylphenol Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
94045-97-3 (2-nitro-3,5,6-Trimethylphenol) Related Products
- 4920-77-8(3-Methyl-2-nitrophenol)
- 15968-56-6(Phenol,3,6-dimethyl-2,4-dinitro-)
- 61019-01-0(Phenol,3,5-dimethyl-2,4-dinitro-)
- 603-03-2(Phenol,3-methyl-2,6-dinitro-)
- 27708-36-7(Phenol, dimethyl-2,4-dinitro-)
- 19499-93-5(2,3-Dimethyl-4-nitrophenol)
- 616-73-9(Phenol,5-methyl-2,4-dinitro-)
- 6538-39-2(Phenol, 3,5-dimethyl-2,4,6-trinitro-)
- 114184-75-7([1,1'-Biphenyl]ol,methylnitro- (9CI))
- 62622-63-3(Phenol, 2,3,4,5-tetramethyl-6-nitro-)
Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
