CAS RN: 90-99-3
Benzhydryl Chloride
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-202303
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | >97% | 0 Out of Stock | Beijing | Inquiry |
90-99-3 / [chloro(phenyl)methyl]benzene
Basic Information
CAS
90-99-3
Multi CAS
Yes
Molecular Formula
C13H11CL
Molecular Weight
202.680000
Exact Mass
202.054928
InChI
InChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKey
ZDVDCDLBOLSVGM-UHFFFAOYSA-N
Physical Properties
Melting Point
20.5 °C
Boiling Point
173 °C @ 19 MM HG
Density
1.1398 @ 20 °C/4 °C
Physical Description
Solid; mp = 20.5 deg C; [HSDB] Liquid; mp = 17-20 deg C
Appearance
NEEDLES
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
Molar refractivity
60.58
TPSA
0.0000
LogP / Solubility
WLOGP
4.01
MLOGP
3.53
XLogP3
3.9
Consensus LogP
3.81
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
