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CAS 115029-24-8 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID molecular structure lightbox
CAS RN: 115029-24-8

2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260206 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251110 10g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250821 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250530 1kg In stock Shanghai Inquiry
Batchno.20260604 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251214 500g In stock Shanghai Inquiry
Batchno.20250425 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251030 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014747
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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, 5g, 10g, 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 115029-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

115029-24-8 / 2-fluoro-4-(trifluoromethyl)benzoic acid

2-Fluoro-4-(trifluoromethyl)benzoic acid | DTXSID10333770 | RefChem:87067

Standard CAS: 115029-24-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115029-24-8
Multi CAS
Yes
Molecular Formula
C8H4F4O2
Molecular Weight
208.110000
Exact Mass
208.014742
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)C(=O)O
InChI
InChI=1S/C8H4F4O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
InChIKey
OCIYTBZXTFPSPI-UHFFFAOYSA-N
Synonyms
2-Fluoro-4-(trifluoromethyl)benzoic acid DTXSID10333770 RefChem:87067 DTXCID20284860 627-844-8

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.36
TPSA
37.3

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
3.4
Consensus LogP
2.73
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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