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

MedKoo CAT#: 591616

CAS#: 100-29-8

Description: 4-Nitrophenetole is an alkoxynitrosobenzene.

Chemical Structure

CAS# 100-29-8

Theoretical Analysis

MedKoo Cat#: 591616
Name: 4-Nitrophenetole
CAS#: 100-29-8
Chemical Formula: C8H9NO3
Exact Mass: 167.0582
Molecular Weight: 167.16
Elemental Analysis: C, 57.48; H, 5.43; N, 8.38; O, 28.71

Price and Availability

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25.0g USD 290.0 2 Weeks
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Synonym: 4-Nitrophenetole; NSC 9812; NSC-9812; NSC9812

IUPAC/Chemical Name: 4-Nitrophenetole


InChi Code: InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3

SMILES Code: CCOC1=CC=C([N+]([O-])=O)C=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: >2 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 167.16 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: Gallemann D, Greif A, Eyer P, Dasenbrock J, Wimmer E, Sonnenbichler J, Sonnenbichler I, Schäfer W, Buhrow I. Formation of 4,4-dialkoxycyclohexa-2,5-dienone N-(thiol-S-yl)imine during reaction of 4-alkoxynitrosobenzenes with thiols in alcoholic solvents. Chem Res Toxicol. 1998 Dec;11(12):1423-33. PubMed PMID: 9860483.

2: Nery R. The binding of radioactive label from labelled phenacetin and related compounds to rat tissues in vivo and to nucleic acids and bovine plasma albumin in vitro. Biochem J. 1971 Apr;122(3):311-5. PubMed PMID: 5118104; PubMed Central PMCID: PMC1176780.