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| CAS No.: | 1779-48-2 |
|---|---|
| Name: | Phenylphosphinic acid |
| Article Data: | 44 |
| Molecular Structure: | |
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|
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| Formula: | C6H7O2P |
| Molecular Weight: | 142.094 |
| Synonyms: | Phosphinicacid, phenyl- (6CI,7CI,8CI,9CI);Benzenephosphonousacid;Hydroxyphenylphosphine oxide;NSC 2670;Phenylphosphonous acid;Benzenephosphinic acid; |
| EINECS: | 217-217-3 |
| Density: | 1.376 |
| Melting Point: | 83-85 °C(lit.) |
| Boiling Point: | 285.112 °C at 760 mmHg |
| Flash Point: | 126.231 °C |
| Solubility: | Soluble in water, ethanol, acetone. Slightly soluble in diethyl ether. Insoluble in benzene, hexane, tetrachloromethane |
| Appearance: | white crystals or crystalline powder |
| Hazard Symbols: |
 C, Xn
|
| Risk Codes: | 22-34-41-37/38 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 3 |
| PSA: | 60.77000 |
| LogP: | 0.77890 |
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Specification
The Phenylphosphinic acid, with the CAS registry number 1779-48-2, is also known as Benzenephosphinic acid. It belongs to the product categories of Acids Organic Building Blocks; Electronic Chemicals; Micro/Nanoelectronics; Phosphonic/Phosphinic Acids; Phosphorus Compounds; Organophosphorus compound; Acids; Building Blocks; Chemical Synthesis; Electronic Chemicals; Materials Science; Organic Building Blocks; Phosphonic/Phosphinic Acids; Phosphorus Compounds. Its EINECS number is 224-305-5. This chemical's molecular formula is C6H7O2P and molecular weight is 142.09. What's more, its systematic name is 3-[Hydroxy(phenyl)phosphoryl]propanoic acid. Its classification code is Skin / Eye Irritant. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. This chemical is a white crystalline solid material. It is used as antioxygen, and it is also used as accelerant for catalyst of organic peroxides.
Physical properties of Phenylphosphinic acid are: (1)ACD/LogP: -0.331; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.29; (4)ACD/LogD (pH 7.4): -5.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 84.41 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 50.567 cm3; (15)Molar Volume: 157.658 cm3; (16)Polarizability: 20.046×10-24cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 272.281 °C; (20)Enthalpy of Vaporization: 84.319 kJ/mol; (21)Boiling Point: 526.605 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-phenylphosphinoylsulfanyl-propionic acid ethyl ester at the temperature of 50 °C. This reaction will need reagent H2O and solvent acetone with the reaction time of 2 hours. The yield is about 100%.
Uses of Phenylphosphinic acid: it can be used to produce (1,2-heptanediyl)bis(phenylphosphinic acid) at the temperature of 90 - 95 °C. It will need reagent benzoyl peroxide and solvent dioxane with the reaction time of 4.5 hours. The yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and is irritating to respiratory system and skin. It can cause burns. It has a risk of serious damage to eyes. 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 where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(c1ccccc1)CCC(=O)O
(2)Std. InChI: InChI=1S/C9H11O4P/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H,12,13)
(3)Std. InChIKey: MORLYCDUFHDZKO-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intraperitoneal | > 625mg/kg (625mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 56, 1950. | |
| rabbit | LD | skin | > 4640mg/kg (4640mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0555311, |
| rat | LD50 | oral | 1345mg/kg (1345mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: CYANOSIS | National Technical Information Service. Vol. OTS0555311, |