1,4-Benzene-bis-phosphonic acid - CAS 880-68-2
Catalog: |
BB043860 |
Product Name: |
1,4-Benzene-bis-phosphonic acid |
CAS: |
880-68-2 |
Synonyms: |
1,4-BENZENEBISPHOSPHONIC ACID; 1,4-Benzenebisphosphonic acid, min. 95 % |
IUPAC Name: | (4-phosphonophenyl)phosphonic acid |
Description: | 1,4-Benzene-bis-phosphonic acid (CAS# 880-68-2 ) is a useful research chemical. |
Molecular Weight: | 238.07 |
Molecular Formula: | C6H8O6P2 |
Canonical SMILES: | C1=CC(=CC=C1P(=O)(O)O)P(=O)(O)O |
InChI: | InChI=1S/C6H8O6P2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H2,7,8,9)(H2,10,11,12) |
InChI Key: | JHDJUJAFXNIIIW-UHFFFAOYSA-N |
Purity: | Min. 95 % |
Storage: | Room temperature. |
MDL: | MFCD00475582 |
GHS Hazard Statement: | H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]; H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 |
Signal Word: | Danger |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.97961197 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.97961197 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2 |
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