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13478-10-9 molecular structure
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dichloroiron tetrahydrate

ChemBase ID: 105010
Molecular Formular: Cl2FeH8O4
Molecular Mass: 198.81212
Monoisotopic Mass: 197.9149016
SMILES and InChIs

SMILES:
O.O.O.O.Cl[Fe]Cl
Canonical SMILES:
Cl[Fe]Cl.O.O.O.O
InChI:
InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2
InChIKey:
WSSMOXHYUFMBLS-UHFFFAOYSA-L

Cite this record

CBID:105010 http://www.chembase.cn/molecule-105010.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dichloroiron tetrahydrate
IUPAC Traditional name
ferrous chloride tetrahydrate
Synonyms
Iron (II) chloride tetrahydrate
Iron dichloride tetrahydrate
FERROUS CHLORIDE TETRAHYDRATE
Iron(II) chloride tetrahydrate
Ferrous chloride tetrahydrate
氯化亚铁 四水合物
氯化铁(II) 四水合物
CAS Number
13478-10-9
EC Number
231-843-4
231-096-4
MDL Number
MFCD00149709
PubChem SID
24868474
162092281
24863713
24853169
PubChem CID
16211588

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.669  LogD (pH = 7.4) 1.669 
Log P 1.669  Molar Refractivity 12.2726 cm3
Polarizability 7.850927 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
crystals and lumps expand Show data source
Vapor Pressure
10 mmHg ( 693 °C) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
NO5600000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1759 expand Show data source
3260 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
22-34 expand Show data source
R:22-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
S:26-27/28-36/37/39-46-64 expand Show data source
EU Classification
C10 expand Show data source
EU Hazard Identification Number
8B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3260 8/PG 3 expand Show data source
Purity
≥98.0% (RT) expand Show data source
≥99% expand Show data source
≥99.0% (RT) expand Show data source
98% expand Show data source
98.0-102.0% expand Show data source
99.0-102.0% expand Show data source
99.99% trace metals basis expand Show data source
Grade
JIS special grade expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤0.001% total nitrogen (N) expand Show data source
≤2% ferric chloride expand Show data source
Cation Traces
As: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤10 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe3+: ≤2000 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤50 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤10 mg/kg expand Show data source
Zn: ≤20 mg/kg expand Show data source
Antion Traces
sulfate (SO42-): ≤100 mg/kg expand Show data source
Linear Formula
FeCl2 · 4H2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02158046 external link
Crystalline
Tetrahydrate
Sigma Aldrich - 380024 external link
Packaging
5, 25 g in glass bottle
Application
A variety of organically templated iron phosphates, of interest because of their rich crystal chemistry and their ability to absorb large molecules in their micropores,were prepared using this compound.1
Sigma Aldrich - 220299 external link
Packaging
1 kg in poly bottle
250 g in poly bottle
5 g in glass bottle
Application
A variety of organically templated iron phosphates, of interest because of their rich crystal chemistry and their ability to absorb large molecules in their micropores,were prepared using this compound.1
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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