4,6-Dichloro-5-nitro-2-propylthiopyrimidine supplier

Name
4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE
EINECS 700-475-0
CAS No. 145783-14-8
Article Data20
CAS DataBase
Density 1.547 g/cm³
Solubility
Melting Point
Formula C₇H₇Cl₂N₃O₂S
Boiling Point 377.79 °C at 760 mmHg
Molecular Weight 268.123
Flash Point 182.281 °C
Transport Information
Appearance Yellow power
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,6-Dichloro-5-nitro-2-propylsulfanylpyrimidine;
PSA 96.90000
LogP 3.71690

4,6-Dichloro-5-nitro-2-propylthiopyrimidine Specification

The Pyrimidine, 4, 6-dichloro-5-nitro-2-(propylthio)-, with the CAS registry number 145783-14-8, is also known as 4, 6-Dichlor-5-nitro-2-(propylsulfanyl)pyrimidin. This chemical's molecular formula is C₇H₇Cl₂N₃O₂S and molecular weight is 268.12. What's more, its systematic name is 4, 6-Dichloro-5-nitro-2-propylsulfanylpyrimidine.

Physical properties about Pyrimidine, 4, 6-dichloro-5-nitro-2-(propylthio)- are: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 55; (6)ACD/BCF (pH 7.4): 55; (7)ACD/KOC (pH 5.5): 610; (8)ACD/KOC (pH 7.4): 610; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 96.9 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 59.939 cm³; (15)Molar Volume: 173.286 cm³; (16)Polarizability: 23.762×10^-24 cm³; (17)Surface Tension: 68.563 dyne/cm; (18)Density: 1.547 g/cm³; (19)Flash Point: 182.281 °C; (20)Enthalpy of Vaporization: 60.107 kJ/mol; (21)Boiling Point: 377.79 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1c(Cl)nc(SCCC)nc1Cl
(2) InChI: InChI=1/C7H7Cl2N3O2S/c1-2-3-15-7-10-5(8)4(12(13)14)6(9)11-7/h2-3H2,1H3
(3) InChIKey: DDEDQHVHVPJFAC-UHFFFAOYAH

Product Name

4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE

4,6-Dichloro-5-nitro-2-propylthiopyrimidine Specification

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