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CAS 161712-77-2 5,6-Difluoroindanone molecular structure lightbox
CAS RN: 161712-77-2

5,6-Difluoroindanone

Product Availability

Choose a grade to view its available package options.

12 package records12 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250621 1g In stock Inquiry
Batchno.20260402 250mg In stock Inquiry
Batchno.20250111 25g In stock Inquiry
Batchno.20260302 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250430 100g In stock Shanghai Inquiry
Batchno.20250122 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260213 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250403 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260501 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251112 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai 8-10 business days Inquiry
Batchno.20260607 25g In stock Shanghai Inquiry
Batchno.20260108 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-069334
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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: 1g, 5g, 10g
  • Available purity: ＞97%
  • 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 161712-77-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

161712-77-2 / 5,6-difluoro-2,3-dihydroinden-1-one

Standard CAS: 161712-77-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
161712-77-2
Multi CAS
No
Molecular Formula
C9H6F2O
Molecular Weight
168.140000
Exact Mass
168.038671
SMILES
C1CC(=O)C2=CC(=C(C=C21)F)F
InChI
InChI=1S/C9H6F2O/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4H,1-2H2
InChIKey
OSJRTWXVMCRBKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
Molar refractivity
39.01
TPSA
17.07

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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