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1990-22-3
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Basic Information
CAS No.: 1990-22-3
Name: TRIAMYL PHOSPHITE
Molecular Structure:
Molecular Structure of 1990-22-3 (TRIAMYL PHOSPHITE)
Formula: C15H33O3P
Molecular Weight: 292.399
Synonyms: Pentylphosphite (6CI,7CI);Triamyl phosphite;Tripentyl phosphite;TRI-N-AMYLPHOSPHATE;
Boiling Point: 286.879 °C at 760 mmHg
Flash Point: 153.543 °C
PSA: 41.28000
LogP: 5.83370
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Specification

The Phosphorous acid,tripentyl ester, with CAS registry number of 1990-22-3, is also known as tripentyl phosphite. Its molecular formula is C15H33O3P, and its molecular weight is 292.39.

Physical properties about this chemical are: (1)ACD/LogP: 5.32; (2) # of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4) ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 8139; (6) ACD/BCF (pH 7.4): 8139; (7) ACD/KOC (pH 5.5): 21916; (8) ACD/KOC (pH 7.4): 21916; (9) # H bond acceptors: 3; (10) # H bond donors: 0; (11) # Freely Rotating Bonds: 15; (12) Polar Surface Area: 41.28 Å2; (13) Flash Point: 153.543 °C; (14) Enthalpy of Vaporization: 50.491 kJ/mol; (15) Boiling Point: 286.879 °C at 760 mmHg; (16) Vapour Pressure: 0.004 mmHg at 25 °C.

Uses of Phosphorous acid,tripentyl ester: it is used to produce other chemicals. For example, it can react with 1,1-dichloro-1-nitroso-ethane to get C12H25ClNO4P. The reaction needs solvent diethyl ether at the temperature of 20 °C. The yield is about 46.9%.

Phosphorous acid,tripentyl ester reacts with 1,1-dichloro-1-nitroso-ethane to get C12H25ClNO4P.

You can still convert the following datas into molecular structure:
(1) SMILES:CCCCCOP(OCCCCC)OCCCCC
(2) InChI:InChI=1/C15H33O3P/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-15H2,1-3H3
(3) InChIKey:CVWUIWZKLYGDNJ-UHFFFAOYAX