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CAS 161793-17-5 2,3,4-Trifluorobenzaldehyde molecular structure lightbox
CAS RN: 161793-17-5

2,3,4-Trifluorobenzaldehyde

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250310 100g In stock Inquiry
Batchno.20250423 10g In stock Inquiry
Batchno.20250904 1g In stock Inquiry
Batchno.20250819 25g In stock Inquiry
Batchno.20260403 5g In stock Inquiry
  • Product code: SSC-069363
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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: 25g
  • 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 161793-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

161793-17-5 / 2,3,4-trifluorobenzaldehyde

Standard CAS: 161793-17-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
161793-17-5
Multi CAS
No
Molecular Formula
C7H3F3O
Molecular Weight
160.090000
Exact Mass
160.013599
SMILES
C1=CC(=C(C(=C1C=O)F)F)F
InChI
InChI=1S/C7H3F3O/c8-5-2-1-4(3-11)6(9)7(5)10/h1-3H
InChIKey
UQEDGFZRPSAHLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
31.7
TPSA
17.07

LogP / Solubility

WLOGP
1.92
MLOGP
1.68
XLogP3
1.7
Consensus LogP
1.77
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.34

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (89.6%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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