CAS RN: 831-81-2
4-Chlorodiphenylmethane
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-191050
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, 1g
- Available purity: >97%
- Inventory rows with stock: 8
- 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 | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 1 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Shanghai | Inquiry |
831-81-2 / 1-benzyl-4-chlorobenzene
Basic Information
CAS
831-81-2
Multi CAS
Yes
Molecular Formula
C13H11CL
Molecular Weight
202.680000
Exact Mass
202.054928
InChI
InChI=1S/C13H11Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
NPOGRKGIBGKRNI-UHFFFAOYSA-N
Physical Properties
Melting Point
7.5 °C
Boiling Point
298 °C @ 742 MM HG
Density
1.1247 @ 20 °C/20 °C
Physical Description
mp = 7.5 deg C; [HSDB]
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
Molar refractivity
60.7
TPSA
0.0000
LogP / Solubility
WLOGP
3.93
MLOGP
3.46
XLogP3
4.9
Consensus LogP
4.1
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.06
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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
