Products Categories
CAS No.: | 1809-19-4 |
---|---|
Name: | Dibutyl phosphite |
Article Data: | 64 |
Molecular Structure: | |
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: | Xn |
Risk Codes: | 21-40-41-36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN 1760 |
PSA: | 59.00000 |
LogP: | 3.00950 |
Reported in EPA TSCA Inventory.
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%.
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%.
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. |