Mandelonitrile benzoate

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

MedKoo CAT#: 592643

CAS#: 4242-46-0

Description: Mandelonitrile benzoate is a biochemical.


Chemical Structure

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Mandelonitrile benzoate
CAS# 4242-46-0

Theoretical Analysis

MedKoo Cat#: 592643
Name: Mandelonitrile benzoate
CAS#: 4242-46-0
Chemical Formula: C15H11NO2
Exact Mass: 237.079
Molecular Weight: 237.26
Elemental Analysis: C, 75.94; H, 4.67; N, 5.90; O, 13.49

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: Mandelonitrile benzoate; NSC 121785; NSC-121785; NSC121785

IUPAC/Chemical Name: Benzeneacetonitrile, alpha-(benzoyloxy)- (9CI)

InChi Key: AXAACNNFMJZAGJ-UHFFFAOYSA-N

InChi Code: InChI=1S/C15H11NO2/c16-11-14(12-7-3-1-4-8-12)18-15(17)13-9-5-2-6-10-13/h1-10,14H

SMILES Code: N#CC(OC(C1=CC=CC=C1)=O)C2=CC=CC=C2

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

Preparing Stock Solutions

The following data is based on the product molecular weight 237.26 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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6: Rauws AG, Olling M, Timmerman A. The pharmacokinetics of amygdalin. Arch Toxicol. 1982 Mar;49(3-4):311-9. PubMed PMID: 7092570.

7: Makarov SE, Curcić BP, Tesević VV, Jadranin MB, Vujisić LV, Curcić SB, Mandić BM, Sekulić TL, Mitić BM. Defensive secretions in three species of polydesmids (Diplopoda, Polydesmida, Polydesmidae). J Chem Ecol. 2010 Sep;36(9):978-82. doi: 10.1007/s10886-010-9847-6. Epub 2010 Aug 31. PubMed PMID: 20809146.

8: Petrounia IP, Goldberg J, Brush EJ. Transient inactivation of almond mandelonitrile lyase by 3-methyleneoxindole: a photooxidation product of the natural plant hormone indole-3-acetic acid. Biochemistry. 1994 Mar 15;33(10):2891-9. PubMed PMID: 8130202.

9: Conner WE, Jones TH, Eisner T, Meinwald J. Benzoyl cyanide in the defensive secretion of polydesmoid millipeds. Experientia. 1977 Feb 15;33(2):206-7. PubMed PMID: 844557.

10: Chmura A, Shapovalova AA, van Pelt S, van Rantwijk F, Tourova TP, Muyzer G, Sorokin DY. Utilization of arylaliphatic nitriles by haloalkaliphilic Halomonas nitrilicus sp. nov. isolated from soda soils. Appl Microbiol Biotechnol. 2008 Nov;81(2):371-8. doi: 10.1007/s00253-008-1685-x. Epub 2008 Sep 16. PubMed PMID: 18795282.

11: Jorns MS. Studies on the kinetics of cyanohydrin synthesis and cleavage by the the flavoenzyme oxynitrilase. Biochim Biophys Acta. 1980;613(1):203-9. PubMed PMID: 6246955.

12: Macías-Ruvalcaba NA, Evans DH. Quantitative evaluation of the mechanism of electroreduction of benzoyl cyanides. J Org Chem. 2007 Jan 19;72(2):589-94. PubMed PMID: 17221978.

13: Darling DC, Schroeder FC, Meinwald J, Eisner M, Eisner T. Production of a cyanogenic secretion by a thyridid caterpillar (Calindoea trifascialis, Thyrididae, Lepidoptera). Naturwissenschaften. 2001 Jul;88(7):306-9. PubMed PMID: 11544899.

14: Diaz-Vivancos P, Bernal-Vicente A, Cantabella D, Petri C, Hernández JA. Metabolomics and Biochemical Approaches Link Salicylic Acid Biosynthesis to Cyanogenesis in Peach Plants. Plant Cell Physiol. 2017 Dec 1;58(12):2057-2066. doi: 10.1093/pcp/pcx135. PubMed PMID: 29036663.