CAS RN: 116850-28-3
2-CHLORO-3-FLUOROTOLUENE
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.20250304 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-016729
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: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
116850-28-3 / 2-chloro-1-fluoro-3-methylbenzene
2-chloro-1-fluoro-3-methylbenzene | DTXSID60557707 | RefChem:258333
Basic Information
CAS
116850-28-3
Multi CAS
No
Molecular Formula
C7H6ClF
Molecular Weight
144.570000
Exact Mass
144.014206
SMILES
CC1=C(C(=CC=C1)F)Cl
InChI
InChI=1S/C7H6ClF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
InChIKey
YSCFYJSLWLBAND-UHFFFAOYSA-N
Synonyms
2-chloro-1-fluoro-3-methylbenzene
DTXSID60557707
RefChem:258333
DTXCID90508489
Benzene, 2-chloro-1-fluoro-3-methyl-
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
Molar refractivity
36.15
TPSA
0.0000
LogP / Solubility
WLOGP
2.79
MLOGP
2.45
XLogP3
3
Consensus LogP
2.75
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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