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CAS 329-15-7 4-(Trifluoromethyl)benzoyl Chloride molecular structure lightbox
CAS RN: 329-15-7

4-(Trifluoromethyl)benzoyl Chloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250831 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong Inquiry
  • Product code: SSC-138673
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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, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 329-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 5 In Stock Beijing Inquiry
500g >97% 5 In Stock Shanghai Inquiry

329-15-7 / 2-(trifluoromethyl)benzoyl chloride

Standard CAS: 329-15-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
329-15-7
Multi CAS
Yes
Molecular Formula
C8H4CLF3O
Molecular Weight
208.560000
Exact Mass
207.990277
InChI
InChI=1S/C8H4ClF3O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H
InChIKey
MXIUWSYTQJLIKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.63
TPSA
17.07

LogP / Solubility

WLOGP
3.08
MLOGP
2.72
XLogP3
2.3
Consensus LogP
2.7
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.8

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

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