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CAS 1489-53-8 1,2,3-Trifluorobenzene molecular structure lightbox
CAS RN: 1489-53-8

1,2,3-Trifluorobenzene

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250519 10g In stock Shanghai, Wuhan Inquiry
Batchno.20250424 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250322 500g In stock Shanghai Inquiry
Batchno.20251005 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-059031
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 5g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1489-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 4 In Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

1489-53-8 / 1,2,3-trifluorobenzene

Standard CAS: 1489-53-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1489-53-8
Multi CAS
No
Molecular Formula
C6H3F3
Molecular Weight
132.080000
Exact Mass
132.018685
SMILES
C1=CC(=C(C(=C1)F)F)F
InChI
InChI=1S/C6H3F3/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey
AJKNNUJQFALRIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
26.32
TPSA
0.0000

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
2.5
Consensus LogP
2.15
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.03

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
Danger
GHS Hazard Statements
H225 (92.3%): Highly Flammable liquid and vapor [Danger Flammable liquids] H315 (90.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (92.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (90.4%): 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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