Basic information
- CAS
5962-41-4- Standard SMILES
CC(C(=O)O)P(=O)(O)O- InChIKey
GUXRZQZCNOHHDO-UHFFFAOYSA-N- Molecular formula
- C3H7O5P
- Average molar mass
- 154.06 g/mol
- Monoisotopic mass
- 154.00310995
Overview
RN given refers to parent acid; structure
Names & identifiers
- Preferred name
- 2-Phosphonopropionic acid
- IUPAC
- 2-phosphonopropanoic acid
- English name
- 2-Phosphonopropionic acid
- Molecular formula
- C3H7O5P
- Molecular weight
- 154.06
Names & synonyms
2-Phosphonopropionic acidRefChem:891182-phosphonopropanoic acid5962-41-4MFCD00041415phosphonopropionic acid2-phosphonopropanoicacidSCHEMBL37979Propanoic acid, 2-phosphono-DTXSID40975021GUXRZQZCNOHHDO-UHFFFAOYSA-NAKOS017342922
Show more names
2-phosphonopropionateLABOTEST-BB LT008478052-Phosphonopropionicacid,98+%1-Carboxyethylphosphonic acid2-PHOSPHONOPROPIONIC ACID: TECH.
CS-0454134ST51016201
Database identifiers
- CAS
5962-41-4- PubChem CID
- 73187
- DTXSID
DTXSID40975021- EC Number
- 679-215-2
- Nikkaji
- J502.646F
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 128 · 128-130°C
- Boiling point
- 434 · 434.0±47.0 °C(Predicted)
- Density
- 1.67 · 1.670±0.06 g/cm3(Predicted)
- pka
- 1.47 · 1.47±0.10(Predicted)
- BRN
- 1772834 · 1772834
- Symbol(GHS)
- 5 · GHS05
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P309-P310
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · 3261
- HazardClass
- 8 · 8
- PackingGroup
- II
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- ridadr
- 3261
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314-H318
- Precautionary statements
- P280-P305+P351+P338-P309-P310
Chemistry & industry
Suppliers8 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
3 records
Compound notes
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