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

MedKoo CAT#: 591991

CAS#: 705-60-2

Description: 1-Phenyl-2-nitropropene is a biochemical.

Chemical Structure

CAS# 705-60-2

Theoretical Analysis

MedKoo Cat#: 591991
Name: 1-Phenyl-2-nitropropene
CAS#: 705-60-2
Chemical Formula: C9H9NO2
Exact Mass: 163.06
Molecular Weight: 163.180
Elemental Analysis: C, 66.25; H, 5.56; N, 8.58; O, 19.61

Price and Availability

Size Price Availability Quantity
1mg USD 250 2 Weeks
5mg USD 390 2 Weeks
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Synonym: 1-Phenyl-2-nitropropene; NSC 2014; NSC-2014; NSC2014

IUPAC/Chemical Name: Benzene, (2-nitro-1-propenyl)-


InChi Code: InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+

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

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 163.18 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Xavier S, Periandy S. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation on 1-phenyl-2-nitropropene by quantum computational calculations. Spectrochim Acta A Mol Biomol Spectrosc. 2015;149:216-30. doi: 10.1016/j.saa.2015.04.055. Epub 2015 Apr 25. PubMed PMID: 25965169.

2: Collins M, Salouros H, Cawley AT, Robertson J, Heagney AC, Arenas-Queralt A. delta(13)C and delta(2)H isotope ratios in amphetamine synthesized from benzaldehyde and nitroethane. Rapid Commun Mass Spectrom. 2010 Jun 15;24(11):1653-8. doi: 10.1002/rcm.4563. PubMed PMID: 20486262.

3: Mori A, Ishiyama I, Akita H, Suzuki K, Mitsuoka T, Oishi T. Reduction of nitroolefin using microorganisms. Chem Pharm Bull (Tokyo). 1990 Dec;38(12):3449-51. PubMed PMID: 2092944.

4: Sinnema A, Verweij AM. Impurities in illicit amphetamine: review. Bull Narc. 1981;33(3):37-54. Review. PubMed PMID: 7039749.