Nitrocyclohexane
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MedKoo CAT#: 591925

CAS#: 1122-60-7

Description: Nitrocyclohexane is a biochemical.


Price and Availability

Size Price Shipping out time Quantity
5g USD 300 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2020-11-23. Prices are subject to change without notice.

Nitrocyclohexane, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 591925
Name: Nitrocyclohexane
CAS#: 1122-60-7
Chemical Formula: C6H11NO2
Exact Mass: 139.079
Molecular Weight: 129.16
Elemental Analysis: C, 55.80; H, 8.58; N, 10.84; O, 24.77


Synonym: Nitrocyclohexane; NSC 66277; NSC-66277; NSC66277

IUPAC/Chemical Name: Cyclohexane, nitro-

InChi Key: NJNQUTDUIPVROZ-UHFFFAOYSA-N

InChi Code: InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2

SMILES Code: O=[N+](C1CCCCC1)[O-]


Technical Data

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO

Shelf Life:
>3 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.03.00


References

1: Zhang QQ, Dong J, Liu YM, Cao Y, He HY, Wang YD. An efficient noble-metal-free supported copper catalyst for selective nitrocyclohexane hydrogenation to cyclohexanone oxime. Chem Commun (Camb). 2017 Mar 7;53(20):2930-2933. doi: 10.1039/c6cc10267k. PubMed PMID: 28220164.

2: Stridfeldt E, Seemann A, Bouma MJ, Dey C, Ertan A, Olofsson B. Synthesis, Characterization and Unusual Reactivity of Vinylbenziodoxolones-Novel Hypervalent Iodine Reagents. Chemistry. 2016 Nov 2;22(45):16066-16070. doi: 10.1002/chem.201603955. Epub 2016 Oct 6. PubMed PMID: 27629653.

3: Ren FD, Cao DL, Shi WJ, Gao HF. A theoretical prediction of the relationships between the impact sensitivity and electrostatic potential in strained cyclic explosive and application to H-bonded complex of nitrocyclohydrocarbon. J Mol Model. 2016 Apr;22(4):97. doi: 10.1007/s00894-016-2967-3. Epub 2016 Mar 31. PubMed PMID: 27029622.

4: Ghorai MK, Halder S, Das S. Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center. J Org Chem. 2015 Oct 2;80(19):9700-12. doi: 10.1021/acs.joc.5b01768. PubMed PMID: 26334184.

5: Qiu W, Ren FD, Shi WJ, Wang YH. A theoretical study on the strength of the C-NO2 bond and ring strain upon the formation of the intermolecular H-bonding interaction between HF and nitro group in nitrocyclopropane, nitrocyclobutane, nitrocyclopentane or nitrocyclohexane. J Mol Model. 2015 May;21(5):114. doi: 10.1007/s00894-015-2653-x. Epub 2015 Apr 12. PubMed PMID: 25863689.

6: Cai S, Zhang S, Zhao Y, Wang DZ. New approach to oximes through reduction of nitro compounds enabled by visible light photoredox catalysis. Org Lett. 2013 Jun 7;15(11):2660-3. doi: 10.1021/ol4009443. Epub 2013 May 24. PubMed PMID: 23706186.

7: Messiha HL, Munro AW, Bruce NC, Barsukov I, Scrutton NS. Reaction of morphinone reductase with 2-cyclohexen-1-one and 1-nitrocyclohexene: proton donation, ligand binding, and the role of residues Histidine 186 and Asparagine 189. J Biol Chem. 2005 Mar 18;280(11):10695-709. Epub 2005 Jan 4. PubMed PMID: 15632179.

8: Kreis P, Degen GH, Andrae U. Sulfotransferase-mediated genotoxicity of propane 2-nitronate in cultured ovine seminal vesicle cells. Mutat Res. 1998 Feb 23;413(1):69-81. PubMed PMID: 9602860.

9: Fitch RW, Luzzio FA. Ultrasound in natural products synthesis: applications to the synthesis of histrionicotoxin via nitroalkanal acetals. Ultrason Sonochem. 1997 Apr;4(2):99-107. PubMed PMID: 11237051.

10: Fiala ES, Sodum RS, Hussain NS, Rivenson A, Dolan L. Secondary nitroalkanes: induction of DNA repair in rat hepatocytes, activation by aryl sulfotransferase and hepatocarcinogenicity of 2-nitrobutane and 3-nitropentane in male F344 rats. Toxicology. 1995 May 5;99(1-2):89-97. PubMed PMID: 7762004.

11: Kido T, Hashizume K, Soda K. Purification and properties of nitroalkane oxidase from Fusarium oxysporum. J Bacteriol. 1978 Jan;133(1):53-8. PubMed PMID: 22538; PubMed Central PMCID: PMC221975.

12: Zaĭtsev PM, Zaĭtseva ZV. [Polarographic determination of nitrocyclohexane in the air of industrial plants]. Gig Sanit. 1965 Sep;30(9):49-50. Russian. PubMed PMID: 5870253.

13: SAVELOVA VA, RUSSKIKH VV. [Experimental data on the toxicology of nitrocyclohexane]. Farmakol Toksikol. 1962 Sep-Oct;25:622-8. Russian. PubMed PMID: 13986896.

14: SAVELOVA VA, RUSSKIKH VV. [Experimental data on hygienic norms of nitrocyclohexane in water reservoirs]. Gig Sanit. 1961 May;26:9-14. Russian. PubMed PMID: 13746893.

15: VOLKOV BV, MARTYNENKO LA, KOCHUROVA GA. [Determination of nitrocyclohexane in sewage]. Gig Sanit. 1961 Jan;26:62-3. Russian. PubMed PMID: 13781986.