1239-0018 Screening compound: 2-(2,4-dinitrophenyl)acetonitrile

1239-0018 Screening compound: 2-(2,4-dinitrophenyl)acetonitrile
1239-0018 Screening compound: 2-(2,4-dinitrophenyl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1239-0018
2-(2,4-dinitrophenyl)acetonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1239-0018

Molecular Formula

C8H5N3O4 (C8 H5 N3 O4)

Compound Name

2-(2,4-dinitrophenyl)acetonitrile

IUPAC name

2-(24-dinitrophenyl)acetonitrile

SMILES

N#CCc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C8H5N3O4/c9-4-3-6-1-2-7(10(12)13)5-8(6)11(14)15/h1-2,5H,3H2

InChI Key

CWCDKZILBPYYPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00995905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.15

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.25

Polar Surface Area

84.192

Acid Dissociation Constant (pKa)

19.73

Base Dissociation Constant (pKb)

-8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 1239-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1239-0018?
Check Price and Availability of 1239-0018, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1239-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1239-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1239-0018
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1239-0018 available by request