2-Nitropropane - ≥96% , CAS No.79-46-9

CAS: 79-46-9 Cat. No.: N107506 Summenformel: C₃H₇NO₂ Molekulargewicht: 89.09 Beilstein Registry Number: 1740684 EG-Nummer: 201-209-1

GRADE & PURITY ≥96%

Synonyms

N0249 | c0555 | EC 201-209-1 | 2-nitro propane | BBL011484 | Isonitro propane | NSC5369 | NSC-5369 | EN300-19734 | RCRA waste no. U171 | PD094263 | Dimethylnitromethane | 2-Nitropropane, >=96% | 2-NITROPROPANE-1,1,1,3,3,3-D6 | EINECS 201-209-1 | i-C3H7NO2

Storage

Room temperature

Shipped In

FedEx DG Service

Übersicht

2-Nitropropane can be converted to mutagenic metabolites by human SULT1A1.

Application：

2-Nitropropane was used to prepare 5,5-Dimethylpyrroline N-oxide and 5,5-di(trideuteromethyl)pyrroline N-oxide. It was also used to determine the concordance of results for a pair of structural isomers, 2-nitropropane (2-NP) and 1-nitropropane (1-NP).

Specifications

Synonyme

N0249 | c0555 | EC 201-209-1 | 2-nitro propane | BBL011484 | Isonitro propane | NSC5369 | NSC-5369 | EN300-19734 | RCRA waste no. U171 | PD094263 | Dimethylnitromethane | 2-Nitropropane, >=96% | 2-NITROPROPANE-1,1,1,3,3,3-D6 | EINECS 201-209-1 | i-C3H7NO2

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 488179521
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179521
• Kanonisches Lächeln: CC(C)[N+](=O)[O-]
• IUPAC Name: 2-nitropropane
• InChIKey: FGLBSLMDCBOPQK-UHFFFAOYSA-N
• INCHI: 1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
• Isomere SMILES: CC(C)[N+](=O)[O-]
• WGK Deutschland: 3
• RTECS: TZ5250000
• UN-Nummer: 2608
• Verpackungsgruppe: III
• Molekulargewicht: 89.09
• Beilstein: 1740684
• Reaxy-Rn: 1740684
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: C-nitro compounds
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (nicht menschlich)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water; Degree of Solubility in water: 17 g/l 25 °C; Soluble in Chloroform
• Empfindlichkeit: Light sensitive
• Brechungsindex: 1.394
• Flammpunkt (°F): 78.8 °F
• Flammpunkt (°C): 26 °C
• Siedepunkt (°C): 120°C
• Schmelzpunkt (°C): -93°C
• Molekulargewicht: 89.090 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 89.0477 Da
• Monoisotopic Mass: 89.0477 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 54.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Yewei Xu, Chunyan Yang, Hongyang Deng, Chi Zhong, Peiyu He, Tinghong Zhang, Yi Sun, Rui Yuan, Shuen Liang, Biao Kang, Guanjun Chang.  (2023)  Efficient adsorption of trinitrotoluene by isoxazoline-based porous polymers prepared from room-temperature stable bis(nitrile oxide).  JOURNAL OF APPLIED POLYMER SCIENCE,  140  (13): (e53678).  [PMID:] [10.1002/app.53678]

2. Zhiqiang Zhang, Qingyan Chu, Yuan Sun, Hao Wang, Deming Lu, Yuying Liu, Haibin Xiao, Ping Wang, Hongyou Cui, Ming Wang.  (2022)  Green Synthesis of 2-Nitropropane via Ammoximation-Oxidation over Organic Base Modified TS-1 Catalysts.  ChemistrySelect,  7  (35): (e202202475).  [PMID:] [10.1002/slct.202202475]

3. Jiao Luo, Hongyan Tan, Bin Yang, Donghua Chen, Junjie Fei.  (2022)  A mesoporous silica-based probe with a molecularly imprinted polymer recognition and Mn:ZnS QDs@rhodamine B ratiometric fluorescence sensing strategy for the analysis of 4-nitrophenol.  Analytical Methods,  14  (39): (3881-3889).  [PMID:36156613] [10.1039/D2AY01147F]

4. Liang Zhu, Xuecui Mei, Zhengchun Peng, Jiao Yang, Yingchun Li.  (2022)  A paper-based microfluidic sensor array combining molecular imprinting technology and carbon quantum dots for the discrimination of nitrophenol isomers.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:35504132] [10.1016/j.jhazmat.2022.129012]

5. Xue Li, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2020)  Covalent coupling fabrication of microporous organic network bonded capillary columns for gas chromatographic separation.  TALANTA,      [PMID:33379116] [10.1016/j.talanta.2020.121914]

6. Junhua Li, Lingzhi He, Jianbo Jiang, Zhifeng Xu, Mengqin Liu, Xing Liu, Haixia Tong, Zeng Liu, Dong Qian.  (2020)  Facile syntheses of bimetallic Prussian blue analogues (KxM[Fe(CN)6]·nH2O, M=Ni, Co, and Mn) for electrochemical determination of toxic 2-nitrophenol.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2020.136579]

7. Yonglin Lei, Yao Xiang.  (2020)  A Room Temperature Curing Agent for Hydroxyl-Terminated Polybutadiene: Synthesis of a Novel Nitrile N-Oxide and Curing Properties of the Polymer Network.  POLYMER SCIENCE SERIES B,  61  (6): (785-794).  [PMID:] [10.1134/S1560090419060137]

8. Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan.  (2019)  In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons.  ELECTROPHORESIS,      [PMID:30942493] [10.1002/elps.201800540]

9. Lei Han, Shi Gang Liu, Jia Yu Liang, Yan Jun Ju, Nian Bing Li, Hong Qun Luo.  (2018)  pH-mediated reversible fluorescence nanoswitch based on inner filter effect induced fluorescence quenching for selective and visual detection of 4-nitrophenol.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:30236941] [10.1016/j.jhazmat.2018.09.025]

10. Cheng Guanghuan, Sun Mingyang, Lu Jingrang, Ge Xinlei, Zhang Huihui, Xu Xinhua, Lou Liping, Lin Qi.  (2017)  Role of biochar in biodegradation of nonylphenol in sediment: Increasing microbial activity versus decreasing bioavailability.  Scientific Reports,  7  (1): (1-11).  [PMID:28680053] [10.1038/s41598-017-04787-2]

11. Xiao-Qiong Wu, Xing-Wen Wu, Qing Huang, Jiang-Shan Shen, Hong-Wu Zhang.  (2015)  In situ synthesized gold nanoparticles in hydrogels for catalytic reduction of nitroaromatic compounds.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2015.01.077]

12. Xiao-Qiong Wu, Xing-Wen Wu, Jiang-Shan Shen, Hong-Wu Zhang.  (2014)  In situ formed metal nanoparticle systems for catalytic reduction of nitroaromatic compounds.  RSC Advances,  4  (90): (49287-49294).  [PMID:] [10.1039/C4RA07494G]

13. Li Lulu, Zhang Zhen, Zhong Ziyuan, Xu Youyi, Li Zhipeng, Tian Wenhuai.  (2025)  The volatilization of organic matter in the sintering process of gold alloy paste.  JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY,      [PMID:] [10.1007/s10973-025-14462-8]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 79-46-9, the molecular formula is C3H7NO2, and the molecular weight is 89.09 g/mol. InChIKey FGLBSLMDCBOPQK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.