CAS RN: 16079-88-2
1-Bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
- Product code: SSC-068563
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: 500g
- 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 |
|---|---|---|---|---|
| 500g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
16079-88-2 / 1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione
Basic Information
CAS
16079-88-2
Multi CAS
No
Molecular Formula
C5H6BrClN2O2
Molecular Weight
241.470000
Exact Mass
239.930120
SMILES
CC1(C(=O)N(C(=O)N1Br)Cl)C
InChI
InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3
InChIKey
PIEXCQIOSMOEOU-UHFFFAOYSA-N
Physical Properties
Melting Point
163-164 °C
Density
Approximately 1.8-2.0
Physical Description
White solid; [HSDB] Faintly yellow fine crystals
Appearance
Free-flowing, white powder
White / off-white tablet
State
Solid
Storage Conditions
Store in a dark, cool (below 66 °F (30"C)), dark well-ventilated area, In well closed original containers, away from energy sources, combustible organic materials, oxidizers, stong bases, and moisture.
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.6
H-bond acceptors
2
Molar refractivity
42.94
TPSA
40.62
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
1.3
Consensus LogP
1.37
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.13
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)
Oxidizer
Corrosive
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H272 (80.7%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (21.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P210, P220, P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P370+P378, P391, P405, and P501
