Cas no 2902-96-7 (2-Nitropropan-1-ol)
2-Nitropropan-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 2-nitro-1-propanol
- 2-nitropropan-1-ol
- 1-Propanol,2-nitro
- 2-methyl-2-nitro-1-propanol
- 2-nitro-propan-1-ol
- 2-Nitropropanol
- 2-Nitropropanol-1
- 2-nitro-propyl alcohol
- EINECS 220-797-0
- Ba 51-084789
- FT-0634544
- 1-Propanol, 2-nitro-
- AT35066
- AKOS015912903
- DTXSID60863052
- CCRIS 5045
- 2-Nitro-1-propanol, purum, >=97.0% (GC)
- CS-0204482
- J-017359
- NS00048207
- CHEBI:139383
- SB84187
- EN300-201674
- SCHEMBL524448
- SCHEMBL17066395
- NSC 16159
- AS-10655
- 2902-96-7
- NSC-16159
- MFCD00007398
- 2-Nitro-1-propanol, >=95%
- AKOS006222515
- NSC16159
- 1-Propanol, 2-nitro-(8CI)(9CI)
- 1-Propanol, 2-nitro-(8CI)
- 1Propanol, 2nitro (8CI)
- 2NPOH cpd
- 1Propanol, 2nitro (8CI)(9CI)
- DTXCID20811731
- 2Nitropropanol
- Ba 51084789
- DB-047505
- ALBB-017751
- 2Nitropropan1ol
- 2-Nitropropan-1-ol
-
- MDL: MFCD00007398
- Inchi: 1S/C3H7NO3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3
- InChI Key: PCNWBUOSTLGPMI-UHFFFAOYSA-N
- SMILES: OCC(C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 105.04300
- Monoisotopic Mass: 105.042593
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 67.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: -0.3
- Topological Polar Surface Area: 66
Experimental Properties
- Color/Form: Not determined
- Density: 1.185?g/mL?at 25?°C(lit.)
- Melting Point: -20°C (estimate)
- Boiling Point: 72-74?°C/1?mmHg(lit.)
- Flash Point: Fahrenheit: 213.8 ° f < br / > Celsius: 101 ° C < br / >
- Refractive Index: n20/D 1.439(lit.)
- Water Partition Coefficient: Slightly soluble in water.
- PSA: 66.05000
- LogP: 0.16710
- Solubility: Not determined
2-Nitropropan-1-ol Security Information
- Signal Word:Warning
- Hazard Statement: H317-H319
- Warning Statement: P280-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Safety Instruction: S23-S24/25
- Storage Condition:Sealed in dry,2-8°C(BD77607)
2-Nitropropan-1-ol Customs Data
- HS CODE:2905590090
- Customs Data:
China Customs Code:
2905590090Overview:
2905590090 Halogenation of other acyclic alcohols\Sulfonated and other derivatives.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
2-Nitropropan-1-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA02553-25g |
2-Nitropropan-1-ol |
2902-96-7 | 25g |
¥958.0 | 2021-09-04 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 147591-25G |
2-Nitropropan-1-ol |
2902-96-7 | ≥95% | 25G |
¥773.98 | 2022-02-24 | |
| Matrix Scientific | 077199-500mg |
2-Nitropropan-1-ol |
2902-96-7 | 500mg |
$105.00 | 2023-09-10 | ||
| Matrix Scientific | 077199-1g |
2-Nitropropan-1-ol |
2902-96-7 | 1g |
$126.00 | 2023-09-10 | ||
| Matrix Scientific | 077199-5g |
2-Nitropropan-1-ol |
2902-96-7 | 5g |
$399.00 | 2023-09-10 | ||
| TRC | N519603-50mg |
2-Nitropropan-1-ol |
2902-96-7 | 50mg |
$ 50.00 | 2022-06-03 | ||
| TRC | N519603-100mg |
2-Nitropropan-1-ol |
2902-96-7 | 100mg |
$ 65.00 | 2022-06-03 | ||
| TRC | N519603-500mg |
2-Nitropropan-1-ol |
2902-96-7 | 500mg |
$ 80.00 | 2022-06-03 | ||
| abcr | AB211570-5 g |
2-Nitro-1-propanol, 97%; . |
2902-96-7 | 97% | 5g |
€73.20 | 2023-05-06 | |
| abcr | AB211570-25 g |
2-Nitro-1-propanol, 97%; . |
2902-96-7 | 97% | 25g |
€187.00 | 2023-05-06 |
2-Nitropropan-1-ol Suppliers
2-Nitropropan-1-ol Related Literature
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Mai-Genrikh A. Shvekhgeimer Russ. Chem. Rev. 1998 67 35
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Beatriz Angulo,José I. García,Clara I. Herrerías,José A. Mayoral,Ana C. Mi?ana Org. Biomol. Chem. 2015 13 9314
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Diparjun Das,Gunindra Pathak,Samuel Lalthazuala Rokhum RSC Adv. 2016 6 104154
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Timothy J. Donohoe,Lee Mitchell,Michael J. Waring,Madeleine Helliwell,Andrew Bell,Nicholas J. Newcombe Org. Biomol. Chem. 2003 1 2173
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Susobhan Das,Amit Mondal,C. Malla Reddy Chem. Soc. Rev. 2020 49 8878
Additional information on 2-Nitropropan-1-ol
Introduction to 2-Nitropropan-1-ol (CAS No. 2902-96-7)
2-Nitropropan-1-ol, with the chemical formula C?H?NO? and CAS number 2902-96-7, is a nitro-substituted alcohol that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound serves as a versatile intermediate in the synthesis of various pharmacologically active molecules, making it a subject of extensive study in medicinal chemistry. Its unique structural properties, characterized by the presence of both a hydroxyl (-OH) and a nitro (-NO?) group, contribute to its reactivity and utility in synthetic pathways.
The nitropropan-1-ol moiety is particularly intriguing due to its ability to participate in diverse chemical transformations. The nitro group, while electron-withdrawing, can also be reduced to an amine, while the hydroxyl group allows for further derivatization via esterification, etherification, or oxidation. These characteristics make 2-nitropropan-1-ol a valuable building block in the construction of more complex molecules, including potential drug candidates.
In recent years, there has been growing interest in the applications of 2-nitropropan-1-ol in the development of novel therapeutic agents. One notable area of research involves its use as a precursor in the synthesis of bioactive compounds that exhibit antimicrobial and anti-inflammatory properties. For instance, derivatives of 2-nitropropan-1-ol have been explored for their potential in modulating enzyme activity and inhibiting pathogenic bacteria. These studies highlight the compound's significance in addressing emerging infectious diseases and chronic inflammatory conditions.
Moreover, the pharmaceutical industry has leveraged 2-nitropropan-1-ol in the synthesis of central nervous system (CNS) drugs. The nitro group's ability to cross the blood-brain barrier has been exploited to develop neuroactive compounds that target specific neurotransmitter systems. Recent advancements in this field have shown promising results in treating neurological disorders such as epilepsy and Alzheimer's disease. The structural flexibility of 2-nitropropan-1-ol allows chemists to fine-tune its pharmacokinetic properties, enhancing drug efficacy and reducing side effects.
The agrochemical sector also benefits from the applications of 2-nitropropan-1-ol. As an intermediate in the synthesis of herbicides and fungicides, this compound contributes to the development of sustainable agricultural practices. Researchers have demonstrated that derivatives of 2-nitropropan-1-ol can effectively inhibit weed growth while minimizing environmental impact. Such innovations are crucial for ensuring food security and reducing reliance on traditional pesticides.
From a synthetic chemistry perspective, 2-nitropropan-1-ol exemplifies the importance of functional group interplay in molecular design. The compound's reactivity profile allows for elegant synthetic strategies, including nucleophilic substitution reactions, condensation reactions, and metal-catalyzed transformations. These methodologies have been documented in numerous scientific publications, underscoring the compound's role as a cornerstone in organic synthesis.
In conclusion, 2-Nitropropan-1-ol (CAS No. 2902-96-7) represents a fascinating compound with broad applications across multiple industries. Its unique chemical properties make it indispensable in pharmaceuticals, agrochemicals, and material science. As research continues to uncover new derivatives and applications, the significance of nitropropan-1-ol is poised to grow further, driving innovation and progress in chemical science.
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