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Nitromethane - for HPLC,≥99%, high purity , CAS No.75-52-5

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Item Number
N109664
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N109664-500ml
500ml
3
$87.90
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Nitrogenous compounds (2445)

Basic Description

Synonyms Nitrocarbol NM
Specifications & Purity Chromatographic grade, ≥99%
Storage Temp Argon charged
Shipped In Normal
Grade Chromatographic grade

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic 1,3-dipolar compounds
Class 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
Description 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

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
METAP1 Tchem Methionine aminopeptidase 1 (614 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
METAP2 Tchem Methionine aminopeptidase 2 (1512 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Calu-6 (398 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CAPAN-1 (772 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A-431 (6446 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HaCaT (4069 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MeWo (235 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

murA UDP-N-acetylglucosamine 1-carboxyvinyltransferase (389 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name nitromethane
INCHI InChI=1S/CH3NO2/c1-2(3)4/h1H3
InChIKey LYGJENNIWJXYER-UHFFFAOYSA-N
Smiles C[N+](=O)[O-]
Isomeric SMILES C[N+](=O)[O-]
UN Number 1261
Packing Group II
Molecular Weight 61.04
Reaxy-Rn 1698205
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698205&ln=

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.

5 results found

Lot Number Certificate Type Date Item
L2411317 Certificate of Analysis Dec 17, 2024 N109664
L2411318 Certificate of Analysis Dec 14, 2024 N109664
I2424060 Certificate of Analysis Oct 24, 2022 N109664
K2210309 Certificate of Analysis Oct 24, 2022 N109664
K2210308 Certificate of Analysis Oct 24, 2022 N109664

Chemical and Physical Properties

Refractive Index 1.3817
Flash Point(°C) 45℃
Boil Point(°C) 101.2°C
Melt Point(°C) -28.55°C
Molecular Weight 61.040 g/mol
XLogP3 0.100
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 61.0164 Da
Monoisotopic Mass 61.0164 Da
Topological Polar Surface Area 45.800 Ų
Heavy Atom Count 4
Formal Charge 0
Complexity 27.500
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

Citations of This Product

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5. Zhang Yuanwen, Zheng Yueming, Wu Qingqing, Tian Fuyun, Ma Chuanjun, Xu Haiyan, Zhan Li, Gao Zhaobing, Zhao Guilong, Ti Huihui.  (2023)  Study on structure-activity relationship (SAR) of simplified mirogabalin derivatives as voltage-gated calcium channel α2δ ligands for the treatment of chronic neuropathic pain.  MEDICINAL CHEMISTRY RESEARCH,  32  (2): (288-313). 
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12. Fanglin Huo, Yangcheng Lu.  (2020)  Homogeneous synthesis of hydroxylamine hydrochloride via acid-catalyzed hydrolysis of nitromethane.  Reaction Chemistry & Engineering,  (2): (387-394). 
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14. Zou Zhijuan, Jiang Yaya, Song Kunpeng.  (2020)  Pd Nanoparticles Assembled on Metalporphyrin-Based Microporous Organic Polymer as Efficient Catalyst for Tandem Dehydrogenation of Ammonia Borane and Hydrogenation of Nitro Compounds.  CATALYSIS LETTERS,  150  (5): (1277-1286). 
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16. Yanlei Shang, Jinchun Shi, Hongbo Ning, Runtong Zhang, Hongyan Wang, Shengnian Luo.  (2019)  Ignition delay time measurements and kinetic modeling of CH4 initiated by CH3NO2.  FUEL,  243  (288). 
17. Fei Wang, Yanju Wu, Xintao Sun, Luzhu Wang, Kui Lu.  (2018)  Direct electron transfer of hemoglobin at 3D graphene–nitrogen doped carbon nanotubes network modified electrode and electrocatalysis toward nitromethane.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,  824  (83). 
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19. Zhongzhe Wei, Shanjun Mao, Fanfei Sun, Jing Wang, Bingbao Mei, Yiqing Chen, Haoran Li, Yong Wang.  (2018)  The synergic effects at the molecular level in CoS2 for selective hydrogenation of nitroarenes.  GREEN CHEMISTRY,  20  (3): (671-679). 
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21. Cao Weiwei, Zhang Yu, Wang Xi, Chen Yinyan, Li Qiang, Xing Xiaodong, Xiao Yuhong, Peng Xuefeng, Ye Zhiwen.  (2017)  Development of a novel resin-based dental material with dual biocidal modes and sustained release of Ag+ ions based on photocurable core-shell AgBr/cationic polymer nanocomposites.  JOURNAL OF MATERIALS SCIENCE-MATERIALS IN MEDICINE,  28  (7): (1-11). 
22. Zhang Yu, Chen Yin-yan, Huang Li, Chai Zhi-guo, Shen Li-juan, Xiao Yu-hong.  (2017)  The antifungal effects and mechanical properties of silver bromide/cationic polymer nano-composite-modified Poly-methyl methacrylate-based dental resin.  Scientific Reports,  (1): (1-13). 
23. Xinyu Wang, Pengfei Yan, Yuxin Li, Guanghui An, Xu Yao, Guangming Li.  (2017)  Highly Efficient White-Light Emission and UV–Visible/NIR Luminescence Sensing of Lanthanide Metal–Organic Frameworks.  CRYSTAL GROWTH & DESIGN,  17  (4): (2178–2185). 
24. Hongwei Zhu, Fei Zhang, Xicheng Liu, Mengna Sun, Jianlei Han, Jing You, Shirong Wang, Yin Xiao, Xianggao Li.  (2017)  Dopant-Free Hole-Transport Material with a Tetraphenylethene Core for Efficient Perovskite Solar Cells.  Energy Technology,  (8): (1257-1264). 
25. Nan Mei, Bing Liu.  (2016)  Pd nanoparticles supported on Fe3O4@C: An effective heterogeneous catalyst for the transfer hydrogenation of nitro compounds into amines.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,  41  (17960). 
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