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CAS 189807-21-4 4-Fluoro-2-(trifluoromethyl)benzoyl Chloride molecular structure lightbox
CAS RN: 189807-21-4

4-Fluoro-2-(trifluoromethyl)benzoyl Chloride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260609 1g In stock Inquiry
Batchno.20260213 25g In stock Inquiry
Batchno.20260305 5g In stock Inquiry
  • Product code: SSC-088915
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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: 100g
  • 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 189807-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

189807-21-4 / 4-fluoro-2-(trifluoromethyl)benzoyl chloride

Standard CAS: 189807-21-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
189807-21-4
Multi CAS
No
Molecular Formula
C8H3ClF4O
Molecular Weight
226.550000
Exact Mass
225.980855
SMILES
C1=CC(=C(C=C1F)C(F)(F)F)C(=O)Cl
InChI
InChI=1S/C8H3ClF4O/c9-7(14)5-2-1-4(10)3-6(5)8(11,12)13/h1-3H
InChIKey
OEYHURRIOWWRMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.59
TPSA
17.07

LogP / Solubility

WLOGP
3.22
MLOGP
2.84
XLogP3
3.4
Consensus LogP
3.15
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly 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)
-1.81

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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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