[ CAS No. 6046-93-1 ]

Name: 6046-93-1|Copper(II) acetate hydrate|97%
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SKU: A509511
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Quality Control of [ 6046-93-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 6046-93-1 ]

SDS Specification

Alternatived Products of [ 6046-93-1 ]

Product Details of [ 6046-93-1 ]

CAS No. :	6046-93-1	MDL No. :	MFCD00149570
Formula :	C₄H₈CuO₅	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NWFNSTOSIVLCJA-UHFFFAOYSA-L
M.W :	199.65	Pubchem ID :	165397
Synonyms :

Calculated chemistry of [ 6046-93-1 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	0
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	26.16
TPSA :	89.49 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.15 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-29.13
Log Po/w (XLOGP3) :	-0.89
Log Po/w (WLOGP) :	-2.55
Log Po/w (MLOGP) :	-1.37
Log Po/w (SILICOS-IT) :	-0.48
Consensus Log Po/w :	-6.89

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.52
Solubility :	60.7 mg/ml ; 0.304 mol/l
Class :	Very soluble
Log S (Ali) :	-0.51
Solubility :	62.1 mg/ml ; 0.311 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.53
Solubility :	683.0 mg/ml ; 3.42 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.0

Safety of [ 6046-93-1 ]

Signal Word:	Danger	Class:	9
Precautionary Statements:	P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310	UN#:	3077
Hazard Statements:	H302-H315-H317-H318-H335-H410	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 6046-93-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 6046-93-1 ]
Downstream synthetic route of [ 6046-93-1 ]

[ 6046-93-1 ] Synthesis Path-Upstream 1~7

1
[ 6046-93-1 ]
[ 598-54-9 ]

Reference： [1] Journal of the Chemical Society, [2] Journal of the Chemical Society, 1902, vol. 81, p. 1385 - 1402
[3] , Gmelin Handbook: Cu: MVol.B2, 26, page 676 - 679,
[4] J. chem. Engg. China, 1937, vol. 4, p. 160 - 163
[5] , Gmelin Handbook: Cu: MVol.B2, 26, page 676 - 679,
[6] Liebigs Annalen der Chemie, [7] Liebigs Annalen der Chemie, 1846, vol. 60, p. 316 - 317
[8] Rev. sci. ind. (2), 1846, vol. 8, p. 5 - 20
[9] , Gmelin Handbook: Cu: MVol.B2, 26, page 676 - 679,

2
[ 6046-93-1 ]
[ 12775-96-1 ]
[ 598-54-9 ]

Reference： [1] Z. phys. Ch., 1909, vol. 69, p. 512 - 522
[2] , Gmelin Handbook: Cu: MVol.B2, 26, page 676 - 679,

3
[ 6046-93-1 ]
[ 7732-18-5 ]
[ 598-54-9 ]
[ 12775-96-1 ]
[ 64-19-7 ]

Reference： [1] Journal of the Chemical Society, [2] Journal of the Chemical Society, 1902, vol. 81, p. 1385 - 1402
[3] , Gmelin Handbook: Cu: MVol.B2, 28, page 681 - 684,

4
[ 6046-93-1 ]
[ 598-54-9 ]
[ 12775-96-1 ]
[ 64-19-7 ]

Reference： [1] Diss. Berlin T. H. 1919, S. 43,
[2] , Gmelin Handbook: Cu: MVol.B2, 28, page 681 - 684,

5
[ 6046-93-1 ]
[ 57-11-4 ]
[ 660-60-6 ]

Reference： [1] Journal of Raman Spectroscopy, 2014, vol. 45, # 11-12, p. 1197 - 1206

6
[ 148-24-3 ]
[ 6046-93-1 ]
[ 10380-28-6 ]

Reference： [1] Journal of Solid State Chemistry, 1993, vol. 106, p. 451 - 460
[2] Canadian Journal of Chemistry, 1983, vol. 61, p. 2154 - 2158
[3] Research on Chemical Intermediates, 2015, vol. 41, # 8, p. 5703 - 5712

7
[ 1148-79-4 ]
[ 148-24-3 ]
[ 6046-93-1 ]
[ 10380-28-6 ]
[ 443913-66-4 ]

Reference： [1] Dalton Transactions, 2017, vol. 46, # 44, p. 15330 - 15339

[ 6046-93-1 ] Synthesis Path-Downstream 1~68

1
[ 6046-93-1 ]
[ 429-06-1 ]
[ 113250-62-7 ]
CuC₁₃H₁₇N₇OBr⁽¹⁺⁾*BF₄^(1-)={CuC₁₃H₁₇N₇OBr}BF₄ [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1988,vol. 110,p. 1996 - 1997

2
[ 1202-34-2 ]
[ 6329-74-4 ]
sodium perchlorate [ No CAS ]
[ 6046-93-1 ]
{(5-bromosalicylamidato bis(2-pyridyl)amine) copper(II)} perchlorate [ No CAS ]

Reference： [1]Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical,1989,vol. 28,p. 673 - 677

3
[ 4199-88-6 ]
[ 6329-74-4 ]
sodium perchlorate [ No CAS ]
[ 6046-93-1 ]
{(5-bromosalicylamidato 5-nitro-1,10-phenanthroline) copper(II)} perchlorate [ No CAS ]

Reference： [1]Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical,1989,vol. 28,p. 673 - 677

4
[ 5541-67-3 ]
[ 6046-93-1 ]
[ 59460-85-4 ]

Reference： [1]Zeitschrift fur Anorganische und Allgemeine Chemie,
Zeitschrift fuer Anorganische und Allgemeine Chemie,1985,vol. 524,p. 193 - 200

5
[ 6046-93-1 ]
[ 28312-61-0 ]
Cu⁽²⁺⁾*C₈H₄N₂O₂^(2-)*0.5H₂O = Cu(C₈H₄N₂O₂)*0.5H₂O [ No CAS ]