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CAS 195136-71-1 2,4-DIFLUORORESORCINOL molecular structure lightbox
CAS RN: 195136-71-1

2,4-DIFLUORORESORCINOL

  • Product code: SSC-092006
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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
  • 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 195136-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

195136-71-1 / 2,4-difluorobenzene-1,3-diol

Standard CAS: 195136-71-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
195136-71-1
Multi CAS
No
Molecular Formula
C6H4F2O2
Molecular Weight
146.090000
Exact Mass
146.017936
SMILES
C1=CC(=C(C(=C1O)F)O)F
InChI
InChI=1S/C6H4F2O2/c7-3-1-2-4(9)5(8)6(3)10/h1-2,9-10H
InChIKey
IBNBFQFUGXNAKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.69
TPSA
40.46

LogP / Solubility

WLOGP
1.38
MLOGP
1.2
XLogP3
1.4
Consensus LogP
1.33
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-2.63

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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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