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CAS 109227-12-5 2-Fluoro-6-(trifluoromethyl)benzoyl Chloride molecular structure lightbox
CAS RN: 109227-12-5

2-Fluoro-6-(trifluoromethyl)benzoyl Chloride

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250515 1g In stock Inquiry
Batchno.20250907 25g In stock Inquiry
Batchno.20250825 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260310 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-010296
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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: 1g
  • Available purity: ≥98%
  • 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 109227-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

109227-12-5 / 2-fluoro-6-(trifluoromethyl)benzoyl chloride

2-Fluoro-6-(trifluoromethyl)benzoyl chloride | DTXSID30148848 | RefChem:87116

Standard CAS: 109227-12-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109227-12-5
Multi CAS
No
Molecular Formula
C8H3ClF4O
Molecular Weight
226.550000
Exact Mass
225.980855
SMILES
C1=CC(=C(C(=C1)F)C(=O)Cl)C(F)(F)F
InChI
InChI=1S/C8H3ClF4O/c9-7(14)6-4(8(11,12)13)2-1-3-5(6)10/h1-3H
InChIKey
ZDRYDSJMVRRAAF-UHFFFAOYSA-N
Synonyms
2-Fluoro-6-(trifluoromethyl)benzoyl chloride DTXSID30148848 RefChem:87116 DTXCID5071339 624-789-1

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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