CAS RN: 111771-12-1
2-Fluoro-6-iodobenzoyl chloride
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260408 | 10g | Out of stock | Inquiry | ||
| Batchno.20260123 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260523 | 1g / 5g | Out of stock | 30 business days | Inquiry | |
| Batchno.20250509 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20260226 | 5g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: LINF904731
111771-12-1 / 2-fluoro-6-iodobenzoyl chloride
2-Fluoro-6-iodobenzoyl chloride | DTXSID10381059 | RefChem:261029
Basic Information
CAS
111771-12-1
Multi CAS
No
Molecular Formula
C7H3ClFIO
Molecular Weight
284.450000
Exact Mass
283.890120
SMILES
C1=CC(=C(C(=C1)I)C(=O)Cl)F
InChI
InChI=1S/C7H3ClFIO/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H
InChIKey
KUULKUHCAMRGCF-UHFFFAOYSA-N
Synonyms
2-Fluoro-6-iodobenzoyl chloride
DTXSID10381059
RefChem:261029
DTXCID90332084
623-375-8
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.3
TPSA
17.07
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
3.2
Consensus LogP
2.83
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501
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