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CAS 193533-92-5 2,3,4-Trifluorotoluene molecular structure lightbox
CAS RN: 193533-92-5

2,3,4-Trifluorotoluene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-091080
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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: ＞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 193533-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

193533-92-5 / 1,2,3-trifluoro-4-methylbenzene

Standard CAS: 193533-92-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
193533-92-5
Multi CAS
No
Molecular Formula
C7H5F3
Molecular Weight
146.110000
Exact Mass
146.034335
SMILES
CC1=C(C(=C(C=C1)F)F)F
InChI
InChI=1S/C7H5F3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3
InChIKey
LRQPEHJWTXCLQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
31.05
TPSA
0.0000

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-1.9

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
Signal
Warning
GHS Hazard Statements
H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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