CAS RN: 137081-41-5
1-Fluorocyclopropanecarboxylic Acid
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-046619
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: 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.25g | >98% | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 5 In Stock | Shanghai | Inquiry |
| 25g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 3 In Stock | Shenzhen | Inquiry |
137081-41-5 / 1-fluorocyclopropane-1-carboxylic acid
Basic Information
CAS
137081-41-5
Multi CAS
No
Molecular Formula
C4H5FO2
Molecular Weight
104.080000
Exact Mass
104.027358
SMILES
C1CC1(C(=O)O)F
InChI
InChI=1S/C4H5FO2/c5-4(1-2-4)3(6)7/h1-2H2,(H,6,7)
InChIKey
NDCPERCVXDYEFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
20.71
TPSA
37.3
LogP / Solubility
WLOGP
0.57
MLOGP
0.49
XLogP3
0.5
Consensus LogP
0.52
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501
