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3-Phosphonopropanoic acid

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Name

3-Phosphonopropanoic acid

EINECS 227-738-8
CAS No. 5962-42-5 Density N/A
PSA 104.64000 LogP -0.36120
Solubility 328g/L(20 oC) Melting Point 165 °C
Formula C3H7O5P Boiling Point 459.8°C at 760 mmHg
Molecular Weight 154.059 Flash Point 150 °C
Transport Information UN 3261 8/PG 2 Appearance White powder
Safety 26-27-28-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 5962-42-5 (3-PHOSPHONOPROPIONIC ACID) Hazard Symbols CorrosiveC
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;

Article Data 18

3-Phosphonopropanoic acid Synthetic route

79-10-7

acrylic acid

5962-42-5

3-phosphonopropionic acid

Conditions
ConditionsYield
With P4O695%
With P4O695%
1746-03-8

vinylphosphonic acid

201230-82-2

carbon monoxide

5962-42-5

3-phosphonopropionic acid

Conditions
ConditionsYield
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

B

3-(di-tert-butoxyphosphoryl)propionic acid

C

115-11-7

isobutene

Conditions
ConditionsYield
In Petroleum ether for 3h; Heating;A n/a
B 71%
C n/a
4706-18-7

(3-Hydroxypropyl)phosphan

5962-42-5

3-phosphonopropionic acid

Conditions
ConditionsYield
With nitric acid
ethyl 3-(diethoxyphosphoryl)propanoate

ethyl 3-(diethoxyphosphoryl)propanoate

5962-42-5

3-phosphonopropionic acid

Conditions
ConditionsYield
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
ConditionsYield
With hydrogenchloride
1112-94-3

methyl 3-(diethoxyphosphinyl)-propanoate

5962-42-5

3-phosphonopropionic acid

Conditions
ConditionsYield
With hydrogenchloride
20580-37-4

3-(dibutoxyphosphoryl)propanenitrile

5962-42-5

3-phosphonopropionic acid

Conditions
ConditionsYield
With hydrogenchloride Heating;
13960-21-9

diethoxyphosphorylmethyl-malonic acid diethyl ester

5962-42-5

3-phosphonopropionic acid

Conditions
ConditionsYield
With hydrogen bromide
3167-63-3

diethyl chloromethylphosphonate

105-53-3

diethyl malonate

5962-42-5

3-phosphonopropionic acid

Conditions
ConditionsYield
(i) Na, xylene, (ii) /BRN= 1363361/, (iii) aq. HBr; Multistep reaction;

3-Phosphonopropanoic acid 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%.

3-Phosphonopropanoic acid can be prepared by acrylic acid

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.

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