Phosphonosuccinic acid
Basic information
- CAS
5768-48-9- Standard SMILES
O=C(O)CC(C(=O)O)P(=O)(O)O- InChIKey
KMDMOMDSEVTJTI-UHFFFAOYSA-N- Molecular formula
- C4H7O7P
- Average molar mass
- 198.07 g/mol
- Monoisotopic mass
- 197.99293919
Names & identifiers
- Preferred name
- Phosphonosuccinic acid
- IUPAC
- 2-phosphonobutanedioic acid
- English name
- phosphonosuccinic acid
- Molecular formula
- C4H7O7P
- Molecular weight
- 198.067941
Names & synonyms
Phosphonosuccinic acid5768-48-9EINECS 227-294-5RefChem:173644227-294-52-phosphonobutanedioic acid2-phosphonosuccinic acidButanedioic acid,2-phosphono-SCHEMBL1561758DTXSID90973274MFCD02128029AKOS030255677
Show more names
phosphono-Butanedioic acidButanedioic acid, phosphono-Butanedioic acid, 2-phosphono-
1-Phosphono-1,2-ethane-dicarboxylic acidNS00047415
Database identifiers
- CAS
5768-48-9- PubChem CID
- 110710
- DTXSID
DTXSID90973274- EC Number
- 227-294-5
- Nikkaji
- J218.039A
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 476.7 · 476.7±55.0 °C(Predicted)
- Density
- 1.916 · 1.916±0.06 g/cm3(Predicted)
- pka
- 0.98 · 0.98±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 82.6% (38 of 46) of all reports.
Danger
H314 (17.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Butanedioic acid, phosphono-
Butanedioic acid, phosphono-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Corr. 1B (17.4%)
Related reactions
2 records
Compound notes
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