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Molecule
ID:103141
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
Cl₂CuH₄O₂
Molecular Mass
170.48256
Exact Mass
168.88843223
Charge
0
InChI
InChI=1S/2ClH.Cu.2H2O/h2*1H;;2*1H2/q;;+2;;/p-2
InChIKey
MPTQRFCYZCXJFQ-UHFFFAOYSA-L
Canonic Smiles
Cl[Cu]Cl.O.O
Isomeric Smiles
O.O.Cl[Cu]Cl
Calculated Properties
JChem
LogD (pH = 7.4)
0.52
LogD (pH = 5.5)
0.52
Log P
0.52
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
7.27
Molar Refractivity
12.27
LOG S
-0.74
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC name
•
IUPAC Traditional name
•
Brand Name
Registration numbers
Properties
•
Safety Information
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
MP Biomedicals
•
Sigma Aldrich
•
ChEBI
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
02150735
02152514
Sigma Aldrich
467847
459097
61174
05-5850
31286
05-5860
12827
307483
221783
Academic Data
PubChem
61482
ChEBI
CHEBI:86318
Names and Identifiers
Synonyms
Coppertrace
CUPRIC CHLORIDE, ACS
Kupfer(II)-chlorid dihydrat
Copper (II) Chloride
CUPRIC CHLORIDE DIHYDRATE
Kupfer(II)-chloride dihydrate
Copper (II) Chloride Dihydrate
氯化铜(II) 二水合物
Cupric chloride dihydrate
氯化铜 二水合物
Copper(II) chloride dihydrate
copper(II) chloride.2H2O
cupric chloride.2H2O
copper(II) chloride dihydrate
cupric chloride dihydrate
CuCl2.2H2O
IUPAC name
dichlorocopper dihydrate
IUPAC Traditional name
copper chloride dihydrate
Brand Name
eriochalcite
Coppertrace
Registration numbers
EC Number
231-159-6
231-210-2
CAS Number
10125-13-0
MDL Number
MFCD00149674
PubChem SID
24870441
162091248
24869509
24853261
24858597
24882070
252162447
PubChem CID
61482
ACToR Database
10125-13-0
13933-17-0
BKMS React Database
105745
BRENDA Database
1.1.3.8
BRENDA Ligand Database
105745
CompTox Database
DTXSID1049564
SureChEMBL Database
SCHEMBL15793
Reaxys Registry
11322055
PubMed Citation Links
9730919
20079553
CHEBI ID
CHEBI:86318
Properties
Safety Information
EU Hazard Identification Number
8B
Source
Safety Statements
S:
20
-
26
-
28
-
46
-
36/37/39
Source
26
-
60
-
61
Source
Storage Condition
Room Temperature (15-30°C)
Source
Australian Hazchem
2Z
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Hazard Class
8
Source
European Hazard Symbols
Harmful (Xn)
Source
Corrosive (C)
Source
Nature polluting (N)
Source
Risk Statements
R:
22
-
34
Source
22
-
36/37/38
-
50/53
Source
Emergency Response Guidebook(ERG) Number
154
Source
EU Classification
C10
Source
RTECS
GL7030000
Source
UN Number
2802
Source
Packing Group
III
Source
3
Source
German water hazard class
3
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Hazardous to the aquatic environment
Acute hazard, category1
Chronic hazard, categories 1,2
Source
GHS Precautionary statements
P261
-
P273
-
P305+P351+P338
Source
RID/ADR
UN 2802 8/PG 3
Source
GHS Signal Word
Warning
Source
GHS Hazard statements
H302
-
H315
-
H319
-
H335
-
H400
Source
Physical Property
Vapor Density
> 1
Source
>1 (vs air)
Source
Density
2.54 g/cm
3
at 20 °C
Source
Melting Point
100 °C (dec.)(lit.)
Source
Apperance
solid
Source
pH
3.0-3.8 (20 °C, 5%)
Source
3.0-3.8 (25 °C, 50 mg/mL in H2O)
Source
Product Information
Certificate of Analysis
Download link
Source
Download link
Source
Grade
ACS
Source
REAGENT
Source
technical
Source
puriss. p.a.
Source
ACS reagent
Source
reagent grade
Source
JIS special grade
Source
SAJ first grade
Source
Purity
≥99%
Source
≥99.99% trace metals basis
Source
≥99.999%
Source
≥98% (complexometric)
Source
≥99% (complexometric)
Source
≥99.0%
Source
≥99.0% (RT)
Source
≥97.0%
Source
Antion Traces
nitrate (NO3-): ≤0.015%
Source
sulfate (SO42-): ≤0.005%
Source
sulfate (SO42-): ≤1000 mg/kg
Source
sulfate (SO42-): ≤50 mg/kg
Source
Cation Traces
Na: ≤0.02%
Source
Ca: ≤0.005%
Source
Fe: ≤0.005%
Source
Ni: ≤0.01%
Source
K: ≤0.01%
Source
Fe: ≤500 mg/kg
Source
As: ≤1 mg/kg
Source
K: ≤20 mg/kg
Source
Ca: ≤20 mg/kg
Source
Ni: ≤50 mg/kg
Source
Fe: ≤10 mg/kg
Source
Na: ≤20 mg/kg
Source
Mg: ≤20 mg/kg
Source
Pb: ≤40 mg/kg
Source
Fe: ≤50 mg/kg
Source
Na: ≤200 mg/kg
Source
Cd: ≤5 mg/kg
Source
Pb: ≤20 mg/kg
Source
Co: ≤5 mg/kg
Source
Mg: ≤5 mg/kg
Source
Mn: ≤5 mg/kg
Source
Ni: ≤5 mg/kg
Source
Cr: ≤5 mg/kg
Source
K: ≤50 mg/kg
Source
Impurities
<100 ppm total metallic impurities
Source
≤0.01% insolubles
Source
≤0.004% total nitrogen (N)
Source
≤0.005% total nitrogen (N)
Source
Linear Formula
CuCl2 · 2H2O
Source
Molecule Details
MP Biomedicals
02150735
Dihydrate
02152514
ACS Reagent Grade
Dihydrate
Purity: ≥99%
Sigma Aldrich
467847
Application
Chlorinating agent; oxidizing agent; Lewis acid; catalyst for conjugate additions and acylation.
Packaging
50, 250 g in poly bottle
459097
Packaging
5 g in poly bottle
307483
Packaging
100, 500 g in poly bottle
221783
Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle
ChEBI
CHEBI:86318
A hydrate that is the dihydrate form of copper(II) chloride. It occurs naturally as the mineral eriochalcite.
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
CAS Number
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MDL Number
•
PubChem SID
•
PubChem CID
•
ACToR Database
•
BKMS React Database
•
BRENDA Database
•
BRENDA Ligand Database
•
CompTox Database
•
SureChEMBL Database
•
Reaxys Registry
•
PubMed Citation Links
•
CHEBI ID