CAS RN: 128593-93-1
2,4-DICHLORO-5-FLUOROBENZONITRILE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260113 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS128593-93-1
- Purity/Analytical Methods: >99.0%
128593-93-1 / 2,4-dichloro-5-fluorobenzonitrile
Basic Information
CAS
128593-93-1
Multi CAS
No
Molecular Formula
C7H2Cl2FN
Molecular Weight
190.000000
Exact Mass
188.954833
SMILES
C1=C(C(=CC(=C1F)Cl)Cl)C#N
InChI
InChI=1S/C7H2Cl2FN/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2H
InChIKey
XZBZWBDTFUFZSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
41.14
TPSA
23.79
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-1.75
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Customers Also Viewed
-
-
-
5-bromo-2-n-butylthiophene
- CAS RN: 128619-83-0
- Product Code: starshine_CAS128619-83-0
- Purity/Analytical method: >99.0%
-
4-{[3-(chloromethyl)phenyl]methyl}morpholine hydrochloride
- CAS RN: 128623-08-5
- Product Code: starshine_CAS128623-08-5
- Purity/Analytical method: >99.0%
-
-
(E)-4-AMINO-4-ETHOXY-1,1,1-TRIFLUOROBUT-3-EN-2-ONE
- CAS RN: 128648-60-2
- Product Code: starshine_CAS128648-60-2
- Purity/Analytical method: >99.0%
![CAS 128623-08-5 4-{[3-(chloromethyl)phenyl]methyl}morpholine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/128623-08-5.gif)
