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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
540-49-8 / 1,2-dibromoethene
Basic Information
CAS
540-49-8
Multi CAS
Yes
Molecular Formula
C2H2BR2
Molecular Weight
185.850000
Exact Mass
185.850280
InChI
InChI=1S/C2H2Br2/c3-1-2-4/h1-2H
InChIKey
UWTUEMKLYAGTNQ-UHFFFAOYSA-N
Physical Properties
Melting Point
Melting point: -6.5 °C /Trans-isomer/
Boiling Point
110 °C @ 754 mm Hg
Boiling point: cis-isomer: 112.5 °C; trans-isomer: 108 °C
Density
2.21 @ 17 °C/4 °C
Physical Description
Colorless liquid; [HSDB] Decomposes in air, moisture, or light; [Merck Index]
Appearance
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
4
Molar refractivity
26.99
TPSA
0.0000
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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2,3-Dibromopropene
- CAS RN: 513-31-5
- Product Code: ICTD0205
- Purity/Analytical method: >90.0%(GC)
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