CAS RN: 585-76-2
3-Bromobenzoic Acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250305 | 100g | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20251031 | 2.5kg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251228 | 25g | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20251028 | 500g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20250801 | 5g | In stock | Chongqing | Inquiry |
- Product code: SSC-166752
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: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 5g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 5 In Stock | Shanghai | Inquiry |
| 25g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 500g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 1000g | >98% | 2 In Stock | Beijing | Inquiry |
585-76-2 / 3-bromobenzoic acid
Basic Information
CAS
585-76-2
Multi CAS
Yes
Molecular Formula
C7H5BRO2
Molecular Weight
201.020000
Exact Mass
199.947290
InChI
InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
VOIZNVUXCQLQHS-UHFFFAOYSA-N
Physical Properties
Physical Description
Off-white crystalline powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.1
TPSA
37.3
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.9
Consensus LogP
2.31
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
