2,4,6-Trichlorophenol Sodium Salt

CAT: 0127-OR1023668-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1023668-01Size:1 g

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CAS Number

3784-03-0

Synonyms

Sodium;2,4,6-trichlorophenolate

Purity

95%

Smiles

C1=C(C=C(C(=C1Cl)[O-])Cl)Cl.[Na+]

Chemical Information

Sodium 2,4,6-trichlorophenoxide

CAS Number	3784-03-0
PubChem CID	23678873
IUPAC Name	sodium 2,4,6-trichlorophenolate
Molecular Formula	C6H2Cl3NaO
Molecular Weight	219.4
Topological Polar Surface Area	23.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	112

SMILES

C1=C(C=C(C(=C1Cl)[O-])Cl)Cl.[Na+]

InChI

InChI=1S/C6H3Cl3O.Na/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+1/p-1

InChIKey

MWWVVWIHGYXNNR-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 3784-03-0

CID: 23678873

Formula: C6H2Cl3NaO

MW: 219.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	217.906892
Monoisotopic Mass	217.906892
Topological Polar Surface Area	23.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	112
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
OR40814	4-Bromo-2,3,6-trichlorophenol
OR937826-01	2,3,6-Trichlorophenol
OR1077658	2,3,4,6-Tetrachlorophenol Sodium Salt
OR957661-01	2,3,4-Trichlorophenol
OR13204	2,4,5-Trichlorophenol
OR1010167-01	2,6-Dichloroindophenol Sodium Salt
OR311211	3-[ (tert-butyldimethylsilyl) oxy]-2,4,6-trichlorophenol
OR1041577	2,4-D (sodium salt)
OR1024716-01	2,6-Dichlorophenolindophenol Sodium Salt hydrate
BUP06769-01	6'-Sialyllactose Sodium Salt

Catalog	Name
sc-475034	2,4,6-Trichlorophenol Sodium Salt
sc-475031	2,4,5-Trichlorophenol Sodium Salt
TRC-P481990-10G	2,4,6-Piperidinetrione Sodium Salt
sc-475542	2,3,4,6-Tetrachlorophenol Sodium Salt
sc-265753	2-Mercapto-4,6-dimethylpyrimidine sodium salt
GT5955-1g	2,6-Dichloroindophenol sodium salt
D10240	2 6-Dibromophenolindophenol Sodium Salt
sc-486739	2,6-Dibromoindophenol Sodium Salt
sc-475193	2,2',6-Tribromoindophenol Sodium Salt
HY-18572A-01	2,4-D (sodium salt)