8003-8003 Screening compound: 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline

8003-8003 Screening compound: 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline
8003-8003 Screening compound: 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8003
4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline

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

8003-8003

Molecular Formula

C9H8ClN5O8 (C9 H8 ClN5 O8)

Compound Name

4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline

IUPAC name

n/a

SMILES

CC(CNc(c([N+]([O-])=O)cc(Cl)c1)c1[N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O

InChI

InChI=1S/C9H8ClN5O8/c1-9(14(20)21,15(22)23)4-11-8-6(12(16)17)2-5(10)3-7(8)13(18)19/h2-3,11H,4H2,1H3

InChI Key

HPCSAHLQELCDCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00399084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.64

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-2.65

Polar Surface Area

145.578

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8003-8003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8003?
Check Price and Availability of 8003-8003, 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 8003-8003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8003
  • 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 8003-8003 available by request