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CAS 31551-45-8 2,7-Dinitro-9-fluorenone molecular structure lightbox
CAS RN: 31551-45-8

2,7-Dinitro-9-fluorenone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 100g In stock Shanghai Inquiry
Batchno.20260630 25g In stock Shanghai, Shandong Inquiry
Batchno.20250715 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-136948
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 31551-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >95% 0 Out of Stock Hong Kong Inquiry

31551-45-8 / 2,7-dinitrofluoren-9-one

Standard CAS: 31551-45-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
31551-45-8
Multi CAS
No
Molecular Formula
C13H6N2O5
Molecular Weight
270.200000
Exact Mass
270.027671
InChI
InChI=1S/C13H6N2O5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H
InChIKey
HDVGAFBXTXDYIB-UHFFFAOYSA-N

Physical Properties

Melting Point
554 to 563 °F (NTP, 1992)
Physical Description
2,7-dinitro-9h-fluoren-9-one is a light green solid. Used a photo conducting material. (NTP, 1992) Light green solid; [CAMEO] Yellow to brown crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
68.62
TPSA
103.35

LogP / Solubility

WLOGP
2.71
MLOGP
2.4
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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