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Cyanuric chloride

CAT: 0127-OR924668Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR924668Size:100 g
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CAS Number
108-77-0
MDL Number
MFCD00006046
Purity
95%
Smiles
Clc1nc(Cl)nc(Cl)n1
Storage Conditions
Store at 2-8°C

Chemical Information

Cyanuric chloride

Cyanuric chloride is a chloro-1,3,5-triazine in which the triazine ring is substituted on each carbon by chlorine. Its main use is in the preparation of the triazine-class pesticides. It has a role as a cross-linking reagent. It is an organochlorine compound and a chloro-1,3,5-triazine.

CAS Number108-77-0
PubChem CID7954
IUPAC Name2,4,6-trichloro-1,3,5-triazine
Molecular FormulaC3Cl3N3
Molecular Weight184.41
XLogP2.9
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity69
SMILES
C1(=NC(=NC(=N1)Cl)Cl)Cl
InChI
InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1
InChIKey
MGNCLNQXLYJVJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyanuric chloride
CAS: 108-77-0
CID: 7954
Formula: C3Cl3N3
MW: 184.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.41
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass182.915780
Monoisotopic Mass182.915780
Topological Polar Surface Area38.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity69.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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