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Phosphorous trichloride,reaction products with 1,1'-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol

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Name

Phosphorous trichloride,reaction products with 1,1'-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol

EINECS N/A
CAS No. 119345-01-6 Density 1.04[at 20℃]
PSA 64.10000 LogP 19.92400
Solubility 1mg/L at 20℃ Melting Point 93-99oC(lit.)
Formula C14H22O . C12H10 . Cl3P Boiling Point 854.2oC at 760 mmHg
Molecular Weight 1035.40000 Flash Point 597.4oC
Transport Information N/A Appearance Off-white powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 119345-01-6 (IRGAFOS P-EPQ) Hazard Symbols N/A
Synonyms

Reaction product of 2,4-di (tert-butyl)phenol, phosphorous trichloride and biphenyl;

 

Phosphorous trichloride,reaction products with 1,1'-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol Specification

The Phosphorous trichloride,reaction products with 1,1'-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol, with the CAS registry number 119345-01-6, is also known as Tetrakis[2,4-bis(2-methyl-2-propanyl)phenyl] 4,4'-biphenyldiylbis(phosphonite). It belongs to the product categories of intermediate .This chemical's molecular formula is C68H92O4P2  and molecular weight is 1035.4.What's more,Its systematic name is Phosphorous trichloride,reaction products with 1,1'-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol.It can solve in water.

Physical properties about Phosphorous trichloride,reaction products with 1,1'-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol are:
(1)ACD/LogP:  21.231; (2)# of Rule of 5 Violations:  2; (3)ACD/LogD (pH 5.5):  21.23; (4)ACD/LogD (pH 7.4):  21.23; (5)ACD/BCF (pH 5.5):  1000000.00; (6)ACD/BCF (pH 7.4):  1000000.00; (7)ACD/KOC (pH 5.5):  10000000.00; (8)ACD/KOC (pH 7.4):  10000000.00; (9)#H bond acceptors:  4; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  19; (12)Flash Point:  597.38 °C; (13)Enthalpy of Vaporization:  119.881 kJ/mol; (14)Boiling Point:  854.226 °C at 760 mmHg; (15)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O(c1ccc(cc1C(C)(C)C)C(C)(C)C)P(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)c3ccc(cc3)c6ccc(P(Oc4ccc(cc4C(C)(C)C)C(C)(C)C)Oc5ccc(cc5C(C)(C)C)C(C)(C)C)cc6;
(2)Std. InChI:InChI=1S/C68H92O4P2/c1-61(2,3)47-29-37-57(53(41-47)65(13,14)15)69-73(70-58-38-30-48(62(4,5)6)42-54(58)66(16,17)18)51-33-25-45(26-34-51)46-27-35-52(36-28-46)74(71-59-39-31-49(63(7,8)9)43-55(59)67(19,20)21)72-60-40-32-50(64(10,11)12)44-56(60)68(22,23)24/h25-44H,1-24H3;
(3)Std. InChIKey:BEIOEBMXPVYLRY-UHFFFAOYSA-N.

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