CAS RN: 149947-16-0
1-Bromo-3-(bromomethyl)-2-fluorobenzene
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-059885
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, 0.25g, 100g
- Available purity: >96%
- Inventory rows with stock: 5
- 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 | >96% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >96% | 5 In Stock | Shanghai | Inquiry |
| 10g | >96% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >96% | 3 In Stock | Beijing | Inquiry |
| 0.25g | >96% | 2 In Stock | Hong Kong | Inquiry |
| 100g | >96% | 0 Out of Stock | Hong Kong | Inquiry |
149947-16-0 / 1-bromo-3-(bromomethyl)-2-fluorobenzene
Basic Information
CAS
149947-16-0
Multi CAS
No
Molecular Formula
C7H5Br2F
Molecular Weight
267.920000
Exact Mass
267.872150
SMILES
C1=CC(=C(C(=C1)Br)F)CBr
InChI
InChI=1S/C7H5Br2F/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey
MGVHFTWDCYIBDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.73
TPSA
0.0000
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
3.3
Consensus LogP
3.28
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly 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)
-1.88
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 (16.7%): 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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