CAS RN: 2113-57-7
3-Bromobiphenyl
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260411 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260204 | 10g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250102 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260326 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260312 | 500g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251210 | 5g | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-100892
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
- Available purity: >98%
- Inventory rows with stock: 4
- 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.
2113-57-7 / 1-bromo-3-phenylbenzene
Basic Information
CAS
2113-57-7
Multi CAS
No
Molecular Formula
C12H9Br
Molecular Weight
233.100000
Exact Mass
231.988760
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKey
USYQKCQEVBFJRP-UHFFFAOYSA-N
Physical Properties
Boiling Point
570 to 574 °F at 760 mmHg (NTP, 1992)
Physical Description
3-bromobiphenyl is a clear yellow viscous liquid. Insoluble in water. (NTP, 1992)
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
59.58
TPSA
0.0000
LogP / Solubility
WLOGP
4.12
MLOGP
3.63
XLogP3
4.6
Consensus LogP
4.12
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
