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1809-19-4

Basic Information
CAS No.: 1809-19-4
Name: Dibutyl phosphite
Article Data: 64
Molecular Structure:
Molecular Structure of 1809-19-4 (Dibutyl phosphite)
Formula: C8H19O3P
Molecular Weight: 194.211
Synonyms: Dibutylhydrogen phosphite;Dibutyl phosphonate;NSC 2668;Phosphorous acid, dibutyl ester;Butylphosphite ((C4H9O)2(HO)P) (6CI,7CI);Butyl alcohol, hydrogen phosphite;Butylphosphonate ((BuO)2HPO);Butyl phosphonate ((C4H9O)2HPO);Di-n-butylhydrogen phosphite;Di-n-butyl phosphite;Dibutoxyphosphine oxide;Dibutyl phosphite;
EINECS: 217-316-1
Density: 0.995 g/mL at 25 °C(lit.)
Melting Point: 70.5 °C
Boiling Point: 247.665 °C at 760 mmHg
Flash Point: 121.111 °C
Solubility: soluble in common organic solvents, insoluble in water
Appearance: clear colorless to slightly yellow liquid
Hazard Symbols: HarmfulXn
Risk Codes: 21-40-41-36/37/38
Safety: 26-36/37/39
Transport Information: UN 1760
PSA: 59.00000
LogP: 3.00950
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  • Dibutyl phosphonate

  • Casno:

    1809-19-4

    Dibutyl phosphonate

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    CFTC?PharmaChem?is?a?service?based?company?in?China,?a?pharmachem?division?of?Changzhou?Foreign?Trade?Corp.,supplying?raw?materials,?intermediates,?APIs?and?fine?chemicals?for?the?pharmaceutical?and?specialty?chemical?industries?worldwide. Applicatio

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  • Dibutyl phosphite

  • Casno:

    1809-19-4

    Dibutyl phosphite

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    Dibutyl phosphite undergoes addition reaction with Schiff bases to yield 1,4-bis[N-methyl(dibutoxyphosphonyl)-1-(2-furyl)]diaminobenzene and 4,4?-bis[N-methyl(dibutoxyphosponyl)-1-phenyl]benzidine. It is antiwear and extreme-pressure additive in indu

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  • Dibutyl phosphite

  • Casno:

    1809-19-4

    Dibutyl phosphite

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    high purity Application:Drug intermediates Materials intermediates and active molecules

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Dibutyl phosphite, with the CAS registry number 1809-19-4, is also known as Butyl alcohol, hydrogen phosphite. It belongs to the product categories of Pharmaceutical Intermediates; Organic Building Blocks; Organic Phosphates/Phosphites; Phosphorus Compounds; Organophosphorus compound; Building Blocks; Chemical Synthesis; Organic Building Blocks; Organic Phosphates/Phosphites; Phosphorus Compounds. Its EINECS number is 217-316-1. This chemical's molecular formula is C8H19O3P and molecular weight is 194.21. What's more, its systematic name is Dibutyl phosphonate. This chemical is used in pharmaceutical and perfume synthesis, and is also used as lubricant additive and antiwear agent.

Physical properties of Dibutyl phosphite are: (1)ACD/LogP: 1.781; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.29; (6)ACD/BCF (pH 7.4): 13.29; (7)ACD/KOC (pH 5.5): 221.68; (8)ACD/KOC (pH 7.4): 221.68; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 59 Å2; (13)Flash Point: 121.111 °C; (14)Enthalpy of Vaporization: 46.521 kJ/mol; (15)Boiling Point: 247.665 °C at 760 mmHg; (16)Vapour Pressure: 0.04 mmHg at 25°C.

Preparation of Dibutyl phosphite: this chemical can be prepared by toluene-4-sulfonic acid and phosphorous acid tributyl ester at the ambient temperature. This reaction will need solvent 1,2-dichloro-ethane with the reaction time of 24 hours. The yield is about 98%.

Dibutyl phosphite can be prepared by toluene-4-sulfonic acid and phosphorous acid tributyl ester at the ambient temperature

Uses of Dibutyl phosphite: it can be used to produce phosphonic acid diethyl ester at the temperature of 40 °C. It will need reagent Ti(Oi-Pr)4 with the reaction time of 22 hours. The yield is about 66%.

Dibutyl phosphite can be used to produce phosphonic acid diethyl ester at the temperature of 40 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful in contact with skin. Moreover, it has a limited evidence of a carcinogenic effect and 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.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCOP(=O)OCCCC
(2)Std. InChI: InChI=1S/C8H19O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h12H,3-8H2,1-2H3
(3)Std. InChIKey: NFJPGAKRJKLOJK-UHFFFAOYSA-N

The toxicity data is as follows:  

 Organism

Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 1990mg/kg (1990mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
rat LC50 inhalation > 20gm/m3 (20000mg/m3)   Albright & Wilson Inc. Vol. #OPB-3, Pg. 1984.
rat LD50 oral 3200mg/kg (3200mg/kg)   Albright & Wilson Inc. Vol. #OPB-3, Pg. 1984.