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3-Hydroxyphenylphosphinyl-propanoic acid

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Name

3-Hydroxyphenylphosphinyl-propanoic acid

EINECS 411-200-6
CAS No. 14657-64-8 Density 1.358 g/cm3
PSA 84.41000 LogP 1.05700
Solubility 31.183g/L at 20℃ Melting Point 152oC
Formula C9H11O4P Boiling Point 526.605 °C at 760 mmHg
Molecular Weight 214.158 Flash Point 272.281 °C
Transport Information N/A Appearance white powder
Safety 26-39 Risk Codes 41
Molecular Structure Molecular Structure of 14657-64-8 (3-Hydroxyphenylphosphinyl-propanoic acid) Hazard Symbols IrritantXi
Synonyms

Propionicacid, 3-(hydroxyphenylphosphinyl)- (8CI);2-Carboxyethyl(phenyl)phosphinicacid;3-(Hydroxyphenylphosphinyl)propanoic acid;3-(Phenylphosphinyl)propionic acid;H 205;H 205 (flame retardant);Hiretar 205;Phosgard PF 100;2-Carboxyethylphenylphosphinic acid;CEPPA;

Article Data 13

3-Hydroxyphenylphosphinyl-propanoic acid Synthetic route

644-97-3

Dichlorophenylphosphine

79-10-7

acrylic acid

14657-64-8

3-[hydroxy(phenyl)phosphinyl]propionic acid

Conditions
ConditionsYield
Stage #1: Dichlorophenylphosphine; acrylic acid at 80 - 110℃; for 3h;
Stage #2: With water at 90℃; for 3h; Temperature; Concentration;
98%
With acetic anhydride96.8%
94.2%
14576-56-8

butyl 3-[butoxy(phenyl)phosphinyl]propionate

14657-64-8

3-[hydroxy(phenyl)phosphinyl]propionic acid

Conditions
ConditionsYield
With sulfuric acid In water97.2%
2071-68-3

3-(chlorophenylphosphinyl)-propionyl chloride

14657-64-8

3-[hydroxy(phenyl)phosphinyl]propionic acid

Conditions
ConditionsYield
With water In acetone for 0.5h; Heating;92.6%
With water
857470-46-3

(2-cyano-ethyl)-phenyl-phosphinic acid butyl ester

14657-64-8

3-[hydroxy(phenyl)phosphinyl]propionic acid

Conditions
ConditionsYield
With hydrogenchloride
202477-16-5

3-(butoxy-phenyl-phosphinoyl)-propionic acid methyl ester

14657-64-8

3-[hydroxy(phenyl)phosphinyl]propionic acid

Conditions
ConditionsYield
With hydrogenchloride
644-97-3

Dichlorophenylphosphine

μ.μ-bis-diphenylacetylene-bis-Fe-Fe)

μ.μ-bis-diphenylacetylene-bis-Fe-Fe)

14657-64-8

3-[hydroxy(phenyl)phosphinyl]propionic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 95.6 percent / 1.) -10 deg C, 2 h, 2.) 0 deg C, 1 h
2: 92.6 percent / water / acetone / 0.5 h / Heating
View Scheme
6172-81-2

butyl phenylphosphinate

14657-64-8

3-[hydroxy(phenyl)phosphinyl]propionic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium
2: aqueous HCl
View Scheme
Multi-step reaction with 2 steps
1: sodium
2: aqueous HCl
View Scheme
Multi-step reaction with 2 steps
1: sodium; benzene
2: aqueous HCl
View Scheme
644-97-3

Dichlorophenylphosphine

14657-64-8

3-[hydroxy(phenyl)phosphinyl]propionic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
2: sodium
3: aqueous HCl
View Scheme
Multi-step reaction with 3 steps
2: sodium
3: aqueous HCl
View Scheme
Multi-step reaction with 3 steps
2: sodium; benzene
3: aqueous HCl
View Scheme
Multi-step reaction with 2 steps
2: H2O
View Scheme

hydroxyethyl 3-[hydroxy(phenyl)phosphinyl]propionate

14657-64-8

3-[hydroxy(phenyl)phosphinyl]propionic acid

14657-64-8

3-[hydroxy(phenyl)phosphinyl]propionic acid

556-52-5

oxiranyl-methanol

C15H23O8P

Conditions
ConditionsYield
In ethanol at 50℃; for 8.5h;98%

3-Hydroxyphenylphosphinyl-propanoic acid Specification

The 3-Hydroxyphenylphosphinyl-propanoic acid, with the CAS registry number 14657-64-8, is also known as 2-Carboxyethyl(phenyl)phosphinic acid. It belongs to the product category of Flame retardant. This chemical's molecular formula is C9H11O4P and molecular weight is 214.16. What's more, its systematic name is 3-[Hydroxy(phenyl)phosphoryl]propanoic acid.

Physical properties of 3-Hydroxyphenylphosphinyl-propanoic 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.

When you are using this chemical, please be cautious about it as the following:
This chemical 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 eye/face protection.

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  

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