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: 1g, 5g, 10g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Shanghai | Inquiry |
| 25g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 4 In Stock | Hong Kong | Inquiry |
2516-99-6 / 3,3,3-trifluoropropanoic acid
Basic Information
CAS
2516-99-6
Multi CAS
No
Molecular Formula
C3H3F3O2
Molecular Weight
128.050000
Exact Mass
128.008514
SMILES
C(C(=O)O)C(F)(F)F
InChI
InChI=1S/C3H3F3O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8)
InChIKey
KSNKQSPJFRQSEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
18.31
TPSA
37.3
LogP / Solubility
WLOGP
1.02
MLOGP
0.89
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Applications of CAS 2516-99-6
This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 2516-99-6 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Physical & Chemical Properties
| IUPAC Name | 3,3,3-trifluoropropanoic acid |
Safety Information (GHS)
Pictogram(s): GHS05. Signal word: Danger.
- H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary statements: P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Request the SDS (Safety Data Sheet) for full hazard and safety documentation.
Storage & Handling
Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
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3-Chloro-2,2,3,3-tetrafluoropropionic Acid
- CAS RN: 661-82-5
- Product Code: ICTC2356
- Purity/Analytical method: >98.0%(T)
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