3-Methyl-2-nitrophenol

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 532493

CAS#: 4920-77-8

Description: 3-Methyl-2-nitrophenol is a bioactive chemical.


Chemical Structure

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3-Methyl-2-nitrophenol
CAS# 4920-77-8

Theoretical Analysis

MedKoo Cat#: 532493
Name: 3-Methyl-2-nitrophenol
CAS#: 4920-77-8
Chemical Formula: C7H7NO3
Exact Mass: 153.0426
Molecular Weight: 153.137
Elemental Analysis: C, 54.90; H, 4.61; N, 9.15; O, 31.34

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: 3-Methyl-2-nitrophenol

IUPAC/Chemical Name: 3-Methyl-2-nitrophenol

InChi Key: QIORDSKCCHRSSD-UHFFFAOYSA-N

InChi Code: InChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3

SMILES Code: OC1=CC=CC(C)=C1[N+]([O-])=O

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: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 153.137 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Olariu RI, Barnes I, Bejan I, Arsene C, Vione D, Klotz B, Becker KH. FT-IR
product study of the reactions of NO3 radicals with ortho-, meta-, and
para-cresol. Environ Sci Technol. 2013 Jul 16;47(14):7729-38. doi:
10.1021/es401096w. Epub 2013 Jun 28. PubMed PMID: 23751015.

2: Mahadevan D, Periandy S, Karabacak M, Ramalingam S, Puviarasan N.
Spectroscopic (FT-IR, FT-Raman and UV-vis) investigation and frontier molecular
orbitals analysis on 3-methyl-2-nitrophenol using hybrid computational
calculations. Spectrochim Acta A Mol Biomol Spectrosc. 2012 Feb;86:139-51. doi:
10.1016/j.saa.2011.10.020. Epub 2011 Oct 19. PubMed PMID: 22074882.

3: Chen J, Wenger JC, Venables DS. Near-ultraviolet absorption cross sections of
nitrophenols and their potential influence on tropospheric oxidation capacity. J
Phys Chem A. 2011 Nov 10;115(44):12235-42. doi: 10.1021/jp206929r. Epub 2011 Oct
14. PubMed PMID: 21958133.

4: Bejan I, Barnes I, Olariu R, Zhou S, Wiesen P, Benter T. Investigations on the
gas-phase photolysis and OH radical kinetics of methyl-2-nitrophenols. Phys Chem
Chem Phys. 2007 Nov 14;9(42):5686-92. Epub 2007 Sep 7. PubMed PMID: 17960257.

5: Morville S, Scheyer A, Mirabel P, Millet M. Spatial and geographical
variations of urban, suburban and rural atmospheric concentrations of phenols and
nitrophenols. Environ Sci Pollut Res Int. 2006 Mar;13(2):83-9. PubMed PMID:
16612896.

6: Mulder GJ, van Doorn AB. A rapid NAD+-linked assay for microsomal uridine
diphosphate glucuronyltransferase of rat liver and some observations on substrate
specificity of the enzyme. Biochem J. 1975 Oct;151(1):131-40. PubMed PMID:
174550; PubMed Central PMCID: PMC1172334.