CAS RN: 286013-07-8
CYANURIC-13C3 CHLORIDE 99 ATOM % 13C
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250526 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS286013-07-8
- Purity/Analytical Methods: >99.0%
286013-07-8 / 2,4,6-trichloro-1,3,5-triazine
Basic Information
CAS
286013-07-8
Multi CAS
Yes
Molecular Formula
C3CL3N3
Molecular Weight
184.410000
Exact Mass
182.915780
InChI
InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1
InChIKey
MGNCLNQXLYJVJD-UHFFFAOYSA-N
Physical Properties
Melting Point
146 °C
154 °C
Boiling Point
192 °C
Boiling point: 194 °C at 764 mm Hg. Hydrolyzes in cold water.
Density
1.32 at 20 °C/4 °C
1.3 g/cm³
Physical Description
Cyanuric chloride appears as a colorless crystalline solid with a pungent odor. Melting point 146 °C. Density 1.32 g / cm3. Very slightly soluble in water. Toxic by ingestion and inhalation of vapors. Irritates skin and eyes. Used to make dyes.
Dry Powder; Liquid
Colorless crystals with pungent odor; [ICSC] White powder;
COLOURLESS CRYSTALS WITH PUNGENT ODOUR.
Appearance
Crystals from ether or benzene
Colorless, monoclinic crystals from C6H6
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
34.86
TPSA
38.67
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
2.9
Consensus LogP
2.11
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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