1,5-PENTANEBISPHOSPHONIC ACID - CAS 4672-25-7
Catalog: |
BB043727 |
Product Name: |
1,5-PENTANEBISPHOSPHONIC ACID |
CAS: |
4672-25-7 |
Synonyms: |
Pentane-1,5-bisphosphonic Acid; Pentamethylenebisphosphonic acid; 1,5-pentylene diphosphonic acid; Pentane-1,5-diyldiphosphonic acid; (5-Phosphonopentyl)phosphonic acid |
IUPAC Name: | 5-phosphonopentylphosphonic acid |
Description: | 1,5-PENTANEBISPHOSPHONIC ACID (CAS# 4672-25-7 ) is a useful research chemical. |
Molecular Weight: | 232.11 |
Molecular Formula: | C5H14O6P2 |
Canonical SMILES: | C(CCP(=O)(O)O)CCP(=O)(O)O |
InChI: | InChI=1S/C5H14O6P2/c6-12(7,8)4-2-1-3-5-13(9,10)11/h1-5H2,(H2,6,7,8)(H2,9,10,11) |
InChI Key: | QRKINCQKOGXVEO-UHFFFAOYSA-N |
Melting Point: | 154-158 °C |
Purity: | 98 % |
Storage: | Room temperature. |
MDL: | MFCD00800268 |
GHS Hazard Statement: | H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 |
Signal Word: | Danger |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.02656216 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.02656216 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.4 |
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