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: 1g, 5g, 10g, 25g, 100g, 0.25g, 500g, 1000g
- Available purity: >95%
- Inventory rows with stock: 12
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 100g | -- | 5 In Stock | Shanghai | Inquiry |
| 100g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 500g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 500g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
1000572-93-9 / 5-bromo-1,2-dichloro-3-fluorobenzene
1000572-93-9 | 5-bromo-1,2-dichloro-3-fluorobenzene | DTXSID00661534
Basic Information
CAS
1000572-93-9
Multi CAS
No
Molecular Formula
C6H2BrCl2F
Molecular Weight
243.880000
Exact Mass
241.870100
SMILES
C1=C(C=C(C(=C1F)Cl)Cl)Br
InChI
InChI=1S/C6H2BrCl2F/c7-3-1-4(8)6(9)5(10)2-3/h1-2H
InChIKey
NWRZTOGDTNCJHP-UHFFFAOYSA-N
Synonyms
1000572-93-9
5-bromo-1,2-dichloro-3-fluorobenzene
DTXSID00661534
RefChem:301379
DTXCID00612283
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
44.12
TPSA
0.0000
LogP / Solubility
WLOGP
3.9
MLOGP
3.43
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
