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14254-41-2

Basic Information
CAS No.: 14254-41-2
Name: Phosphorochloridic acid, bis(2,4-dichlorophenyl) ester
Article Data: 1
Cas Database
Molecular Structure:
Molecular Structure of 14254-41-2 (Phosphorochloridic acid, bis(2,4-dichlorophenyl) ester)
Formula: C12H6Cl5O3P
Molecular Weight: 406.417
Synonyms: bis(2,4-dichlorophenyl) phosphorochloridate;
EINECS: N/A
Density: 1.634 g/cm3
Melting Point: 51-56 °C(lit.)
Boiling Point: 475.8 °C at 760 mmHg
Flash Point: 401.481 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: HarmfulXn; IrritantXi
Risk Codes: 36/37/38-22
Safety: 26-36
Transport Information: UN 3464
PSA: 45.34000
LogP: 7.10490
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  • Bis(2,4-dichlorophenyl)chlorophosphate

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    Bis(2,4-dichlorophenyl)chlorophosphate

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  • bis(2,4-dichlorophenyl) phosphorochloridate

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    bis(2,4-dichlorophenyl) phosphorochloridate

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  • Bis(2,4-dichlorophenyl) phosphorochloridate

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    Bis(2,4-dichlorophenyl) phosphorochloridate

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  • Bis(2,4-dichlorophenyl) chlorophosphate

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    Bis(2,4-dichlorophenyl) chlorophosphate

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    Chemical Name: BIS(2,4-DICHLOROPHENYL) CHLOROPHOSPHATE CAS No. 14254-41-2 Molecular Formula: C12H6Cl5O3P Formula Weight: 406.41 Property mp …

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  • Bis(2,4-dichlorophenyl)phosphorochloridate

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    Bis(2,4-dichlorophenyl)phosphorochloridate

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Specification

The IUPAC name of this chemical is Bis(2,4-dichlorophenyl) chlorophosphate. With the CAS registry number 14254-41-2, it is also named as Phosphorochloridic acid, bis(2,4-dichlorophenyl) ester. The molecular formula is C12H6Cl5O3P and molecular weight is 406.41.

Physical properties about Bis(2,4-dichlorophenyl) chlorophosphate are: (1)ACD/LogP: 6.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.46; (4)ACD/LogD (pH 7.4): 6.46; (5)ACD/BCF (pH 5.5): 47673.97; (6)ACD/BCF (pH 7.4): 47673.97; (7)ACD/KOC (pH 5.5): 77677.63; (8)ACD/KOC (pH 7.4): 77677.63; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 45.34 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 85.85 cm3; (15)Molar Volume: 248.6 cm3; (16)Polarizability: 34.03 ×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.634 g/cm3; (19)Flash Point: 401.5 °C; (20)Enthalpy of Vaporization: 71.12 kJ/mol; (21)Boiling Point: 475.8 °C at 760 mmHg; (22)Vapour Pressure: 9.25E-09 mmHg at 25°C.

Preparation of Bis(2,4-dichlorophenyl) chlorophosphate: this chemical can be prepared by 2,4-dichloro-phenol. The other product is phosphorodichloridic acid 2,4-dichloro-phenyl ester. It will need reagent phosphoryl chloride and magnesium. The reaction time is 6 hours by heating. The yield is about 45%.

Bis(2,4-dichlorophenyl) chlorophosphate can be prepared by 2,4-dichloro-phenol. The other product is phosphorodichloridic acid 2,4-dichloro-phenyl ester.

Uses of Bis(2,4-dichlorophenyl) chlorophosphate: it can be used to produce bis(2,4-dichlorophenyl) 1-[(2S)-2-(methoxymethyl)pyrrolidinyl]phosphonate with (S)-(+)-2-(methoxymethyl)pyrrolidine. This reaction will need reagent diisopropylethylamine and solvent CH2Cl2. The reaction time of 1 hours at temperature of 0 °C. The yield is about 65%.

Bis(2,4-dichlorophenyl) chlorophosphate can be used to produce bis(2,4-dichlorophenyl) 1-[(2S)-2-(methoxymethyl)pyrrolidinyl]phosphonate with (S)-(+)-2-(methoxymethyl)pyrrolidine

 

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Cl)ccc2OP(Cl)(=O)Oc1ccc(Cl)cc1Cl
(2)InChI: InChI=1/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H
(3)InChIKey: RHQSBXZVIMBYKW-UHFFFAOYAQ