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Molecule
ID:75007
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₁₀H₂₄O₆P₂
Molecular Mass
302.241482
Exact Mass
302.10481175
Charge
0
InChI
InChI=1S/C10H24O6P2/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4/h5-10H2,1-4H3
InChIKey
RSQYXXACEZCDFS-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(OCC)CCP(=O)(OCC)OCC
Isomeric Smiles
P(=O)(CCP(=O)(OCC)OCC)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9089009
LogD (pH = 7.4)
0.9089009
Log P
0.9089009
Molar Refractivity
69.5582
Polarizability
28.657497
Polar Surface Area
71.06
Rotatable Bonds
11
Lipinski's Rule of Five
true
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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RDKit
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Synonyms
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IUPAC name
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IUPAC Traditional name
Registration numbers
Properties
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Safety Information
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Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR10798
Sigma Aldrich
411256
Alfa Aesar
A14206
Academic Data
PubChem
70446
Names and Identifiers
Synonyms
Tetraethyl(ethylene)bisphosphonate
亚乙基二磷酸四乙酯
Tetraethyl ethylenediphosphonate
1,2-Ethylenediphosphonic acid tetraethyl ester
IUPAC name
diethyl [2-(diethoxyphosphoryl)ethyl]phosphonate
IUPAC Traditional name
diethyl 2-(diethoxyphosphoryl)ethylphosphonate
Registration numbers
CAS Number
995-32-4
Beilstein Number
1800096
EC Number
213-625-0
PubChem SID
24865737
162039925
MDL Number
MFCD00015133
PubChem CID
70446
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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CAS Number
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Beilstein Number
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EC Number
•
PubChem SID
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MDL Number
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PubChem CID
Properties
Safety Information
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
GHS Hazard statements
H315
-
H319
-
H335
Source
H315
-
H319
Source
European Hazard Symbols
Irritant (Xi)
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
GHS Signal Word
Warning
Source
MSDS Link
Download link
Source
Risk Statements
36/37/38
Source
36/38
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P280G-
P305+P351+P338
Source
Safety Statements
26
-
36
Source
23
-
26
-
37
-
60
Source
German water hazard class
3
Source
TSCA Listed
否
Source
Product Information
Linear Formula
[-CH2P(O)(OC2H5)2]2
Source
Purity
97%
Source
98%
Source
Physical Property
Boiling Point
200-202 °C/14 mmHg(lit.)
Source
153-154°C/0.9mm
Source
Refractive Index
n20/D 1.444(lit.)
Source
1.4410
Source
Flash Point
113 °C
Source
235.4 °F
Source
>110°C(230°F)
Source
1.146 g/mL at 25 °C(lit.)
Source
1.146
Source
Density