CAS RN: 41011-01-2
2-bromo-1-(3-chlorophenyl)ethanone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260123 | 10g / 25g / 100g / 500g | Confirm by inquiry | Hebei, Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-149407
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
- Available purity: >97%
- Inventory rows with stock: 2
- 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 | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 5g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 10g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
41011-01-2 / 2-bromo-1-(3-chlorophenyl)ethanone
2-Bromo-1-(3-chlorophenyl)ethanone | 3-Chlorophenacyl bromide | 2-BROMO-3'-CHLOROACETOPHENONE
Basic Information
CAS
41011-01-2
Multi CAS
Yes
Molecular Formula
C8H6BRCLO
Molecular Weight
233.490000
Exact Mass
231.929060
SMILES
C1=CC(=CC(=C1)Cl)C(=O)CBr
InChI
InChI=1S/C8H6BrClO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
InChIKey
KJVRURZDIOVSSQ-UHFFFAOYSA-N
Synonyms
2-Bromo-1-(3-chlorophenyl)ethanone
3-Chlorophenacyl bromide
2-BROMO-3'-CHLOROACETOPHENONE
2-bromo-1-(3-chlorophenyl)-1-ethanone
m-Chlorophenacyl bromide
Physical Properties
Melting Point
39.5-40 °C
Physical Description
Solid; [HSDB]
Appearance
NEEDLES
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
49.58
TPSA
17.07
LogP / Solubility
WLOGP
2.92
MLOGP
2.57
XLogP3
3.3
Consensus LogP
2.93
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (93%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
