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| CAS No.: | 5962-42-5 |
|---|---|
| Name: | 3-PHOSPHONOPROPIONIC ACID |
| Article Data: | 18 |
| Molecular Structure: | |
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|
|
| Formula: | C3H7O5P |
| Molecular Weight: | 154.059 |
| Synonyms: | Propionicacid, 3-phosphono- (6CI,7CI,8CI);1-Carboxyethane-2-phosphonic acid;2-Carboxyethane-1-phosphonic acid;2-Carboxyethanephosphonic acid;2-Carboxyethylphosphonic acid;Carboxyethylphosphonic acid;Phosphonic acid, (2-carboxyethyl)-;b-Phosphonopropionic acid; |
| EINECS: | 227-738-8 |
| Melting Point: | 165 °C |
| Boiling Point: | 459.8°C at 760 mmHg |
| Flash Point: | 150 °C |
| Solubility: | 328g/L(20 oC) |
| Appearance: | White powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-27-28-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 104.64000 |
| LogP: | -0.36120 |
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| Conditions | Yield |
|---|---|
| With P4O6 | 95% |
| With P4O6 | 95% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; water; palladium(II) acetylacetonate; acetic acid at 20 - 100℃; under 30003 Torr; for 20h; Inert atmosphere; Autoclave; | 82% |
- 15205-62-6
tri(tert-butyl)phosphite
- 79-10-7
acrylic acid
A
- 5962-42-5
3-phosphonopropionic acid
C
- 115-11-7
isobutene
| Conditions | Yield |
|---|---|
| In Petroleum ether for 3h; Heating; | A n/a B 71% C n/a |
| Conditions | Yield |
|---|---|
| With nitric acid |
- 5962-42-5
3-phosphonopropionic acid
| Conditions | Yield |
|---|---|
| With diluted acid at 140 - 150℃; | |
| With hydrogenchloride at 100 - 120℃; | |
| at 280℃; | |
| With hydrogenchloride at 120 - 125℃; | |
| With hydrogenchloride |
- 10123-62-3
diethyl (2-cyanoethyl)phosphonate
- 5962-42-5
3-phosphonopropionic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 20580-37-4
3-(dibutoxyphosphoryl)propanenitrile
- 5962-42-5
3-phosphonopropionic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride Heating; |
- 13960-21-9
diethoxyphosphorylmethyl-malonic acid diethyl ester
- 5962-42-5
3-phosphonopropionic acid
| Conditions | Yield |
|---|---|
| With hydrogen bromide |
| Conditions | Yield |
|---|---|
| (i) Na, xylene, (ii) /BRN= 1363361/, (iii) aq. HBr; Multistep reaction; |
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Specification
The 3-Phosphonopropanoic acid, with the CAS registry number 5962-42-5, is also known as 2-Carboxyethanephosphonic acid. Its EINECS number is 227-738-8. This chemical's molecular formula is C3H7O5P and molecular weight is 154.06. What's more, its systematic name is 3-Phosphonopropanoic acid. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. It is used as intermediate in organic synthesis.
Preparation of 3-Phosphonopropanoic acid: this chemical can be prepared by acrylic acid. This reaction will need reagent P4O6. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to eyes, respiratory system and skin. You should take off immediately all contaminated clothing. After contact with skin, you must wash immediately with plenty of soap-suds. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: C(CP(=O)(O)O)C(=O)O
(2)Std. InChI: InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
(3)Std. InChIKey: NLBSQHGCGGFVJW-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | oral | 5775mg/kg (5775mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC SKIN AND APPENDAGES (SKIN): HAIR: OTHER GASTROINTESTINAL: OTHER CHANGES | International Journal of Toxicology. Vol. 19, Pg. 352, 2000. |