CAS RN: 367-25-9
2,4-Difluoroaniline
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: SSC-143906
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: 25g, 100g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
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367-25-9 / 2,4-difluoroaniline
Basic Information
CAS
367-25-9
Multi CAS
No
Molecular Formula
C6F2H5N
Molecular Weight
129.110000
Exact Mass
129.039005
InChI
InChI=1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey
CEPCPXLLFXPZGW-UHFFFAOYSA-N
Physical Properties
Melting Point
18.5 °F (NTP, 1992)
Boiling Point
338 °F at 753 mmHg (NTP, 1992)
Density
1.268 (NTP, 1992) - Denser than water; will sink
Physical Description
2,4-difluoroaniline is a dark reddish-purple liquid. (NTP, 1992)
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.77
TPSA
26.02
LogP / Solubility
WLOGP
1.55
MLOGP
1.35
XLogP3
1.5
Consensus LogP
1.47
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
