ChemicalBook--->CAS DataBase List--->94317-64-3

94317-64-3

94317-64-3 Structure

94317-64-3 Structure
IdentificationMore
[Name]

N-(n-Butyl)thiophosphoric triamide
[CAS]

94317-64-3
[Synonyms]

N-BUTYLTHIOPHOSPHORIC TRIAMIDE
N-(N-BUTYL)THIOPHOSPHORIC TRIAMIDE
butyl-phosphorothioictriamid
N-(N-BUTYL)-THIOPHORIC TRIAMIDE (NBPT)
N-(n-Butyl)thiophosphoricTriamide=NBPT
N-(N-BUTYL)THIOPHOSPHORICACID
Butylphosphorothioic triamide
N-(n-Butyl)thiophosphoric triamide ,97%
(Butylamino)diaminophosphine sulfide
BTPT
[EINECS(EC#)]

237-066-7
[Molecular Formula]

C4H14N3PS
[MDL Number]

MFCD00269941
[Molecular Weight]

167.21
[MOL File]

94317-64-3.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

58-60°C
[Boiling point ]

277.4±23.0 °C(Predicted)
[density ]

1.171±0.06 g/cm3(Predicted)
[vapor pressure ]

0.001-1.7Pa at 25℃
[Fp ]

96°C
[storage temp. ]

−20°C
[solubility ]

DMSO (Sparingly), Methanol (Slightly)
[form ]

Solid
[pka]

6.23±0.70(Predicted)
[color ]

White to Off-White
[Water Solubility ]

4.3 g/L at 25 ºC
[Sensitive ]

Stench
[Usage]

A urease inhibitor
[Detection Methods]

T,NMR
[InChI]

1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)
[InChIKey]

HEPPIYNOUFWEPP-UHFFFAOYSA-N
[SMILES]

S=P(NCCCC)(N)N
[LogP]

-0.32-0.444 at 20-25℃
[CAS DataBase Reference]

94317-64-3(CAS DataBase Reference)
[EPA Substance Registry System]

94317-64-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

WGK 1
[Hazard Note ]

Stench
[TSCA ]

TSCA listed
[HS Code ]

29299090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Repr. 2
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Uses]

A urease inhibitor
[Flammability and Explosibility]

Nonflammable
[Synthesis]

Phosphoramidothioic dichloride, N-butyl-

6141-81-7

N-(n-Butyl)thiophosphoric triamide

94317-64-3

General procedure for the synthesis of n-butylthiophosphoric triamine from the compound (CAS: 6141-81-7): first, ammonia was passed through cold hydrazine and externally observed until liquid ammonia was formed. A cooling device was started in a four-necked flask equipped with a stirrer to maintain the reaction temperature at -45°C. Subsequently, 12.75 g of liquid ammonia was added to the flask and the pre-cooled reaction solution was added dropwise stepwise. The dropwise addition process was controlled to be completed within 1.5 hours. Samples were taken during the reaction and when the content of N-butylamino thiophosphoryl dichloride decreased to 2% of the total mass, the reaction temperature was raised to 25°C. The reaction was continued until the substitution reaction was completed, with a total reaction time of 2 h 5 min. At the end of the reaction, the product was filtered, washed and vaporized, and finally recrystallized from n-hexane to obtain N-n-butylaminophosphorothioic acid triamine with a purity of 98.7% and a yield of 95.1%.

[References]

[1] Patent: CN105399767, 2016, A. Location in patent: Paragraph 0045; 0047
[2] Patent: US2011/196172, 2011, A1. Location in patent: Page/Page column 4
[3] Chemische Berichte, 1956, vol. 89, p. 1768,1770
[4] Patent: US2011/28761, 2011, A1. Location in patent: Page/Page column 4
[5] Patent: CN105440073, 2016, A. Location in patent: Paragraph 0038; 0041
Spectrum DetailBack Directory
[Spectrum Detail]

N-(n-Butyl)thiophosphoric triamide(94317-64-3)FT-IR
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