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

CAS: 79-46-9 Cat. No.: N107506 Molecular Weight: 89.09 Beilstein Registry Number: 1740684 EC Number: 201-209-1
AVAILABLE TO ORDER
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
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Size
Status
Price
Qty
5ml
N107506-5ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$14.90
25ml
N107506-25ml
3
$57.90
100ml
N107506-100ml
9
$134.90
500ml
N107506-500ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$324.90
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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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

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
Specifications & Purity
≥96%
Storage
Room temperature
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥96%
Names and Identifiers
Pubchem Sid488179521
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488179521
Canonical SmilesCC(C)[N+](=O)[O-]
IUPAC Name2-nitropropane
InChIKeyFGLBSLMDCBOPQK-UHFFFAOYSA-N
INCHI1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
Isomeric SMILES CC(C)[N+](=O)[O-]
WGK Germany 3
RTECS TZ5250000
UN Number 2608
Packing Group III
Molecular Weight 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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic 1,3-dipolar compounds
ClassAllyl-type 1,3-dipolar organic compounds
SubclassOrganic nitro compounds
Intermediate Tree Nodes Not available
Direct ParentC-nitro compounds
Alternative Parents Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeDateItem
G2219694Certificate of AnalysisMay 08, 2026 N107506
G2220125Certificate of AnalysisMay 08, 2026 N107506
J2130604Certificate of AnalysisAug 11, 2025 N107506
K2101127Certificate of AnalysisAug 11, 2025 N107506
D2321416Certificate of AnalysisJun 12, 2022 N107506
G2219693Certificate of AnalysisJun 12, 2022 N107506
I2511076Certificate of AnalysisJun 12, 2022 N107506
Chemical and Physical Properties
SolubilitySlightly soluble in water; Degree of Solubility in water: 17 g/l 25 °C; Soluble in Chloroform
SensitivityLight sensitive
Refractive Index1.394
Flash Point(°F)78.8 °F
Flash Point(°C)26 °C
Boil Point(°C)120°C
Melt Point(°C)-93°C
Molecular Weight89.090 g/mol
XLogP30.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass89.0477 Da
Monoisotopic Mass89.0477 Da
Topological Polar Surface Area45.800 Ų
Heavy Atom Count6
Formal Charge0
Complexity54.300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
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,  (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,  (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,  (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]
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