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CAS 14742-36-0 3,4,5,6-Tetrafluorosalicylic Acid molecular structure lightbox
CAS RN: 14742-36-0

3,4,5,6-Tetrafluorosalicylic Acid

  • Product code: SSC-058105
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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: ≥98%
  • 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 14742-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

14742-36-0 / 2,3,4,5-tetrafluoro-6-hydroxybenzoic acid

Standard CAS: 14742-36-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14742-36-0
Multi CAS
No
Molecular Formula
C7H2F4O3
Molecular Weight
210.080000
Exact Mass
209.994007
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)O)C(=O)O
InChI
InChI=1S/C7H2F4O3/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H,(H,13,14)
InChIKey
WKYGDMSOKGXAAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.9
TPSA
57.53

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
2
Consensus LogP
1.7
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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