Benzonitrile, 2-[(6-chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]- supplier

Name
2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE
EINECS
CAS No. 865758-95-8
Article Data12
CAS DataBase
Density 1.48 g/cm³
Solubility
Melting Point
Formula C₁₂H₈ClN₃O₂
Boiling Point
Molecular Weight 261.667
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-((6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile;
PSA 78.91000
LogP 1.52228

Benzonitrile, 2-[(6-chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]- Specification

The Benzonitrile, 2-[(6-chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]- is an organic compound with the formula C₁₂H₈ClN₃O₂. With the CAS registry number 865758-95-8, the systematic name of this chemical is 2-[(6-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]benzonitrile.

Physical properties about Benzonitrile, 2-[(6-chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]- are: (1)ACD/LogP: 0.36; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.82; (7)ACD/KOC (pH 7.4): 2.89; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)olar Surface Area: 64.41 Å²; (12)Index of Refraction: 1.655; (13)Molar Refractivity: 64.7 cm³; (14)Molar Volume: 176.2 cm³; (15)Polarizability: 25.65×10^-24cm³; (16)Surface Tension: 69.9 dyne/cm; (17)Density: 1.48 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(cccc1)CN2C(/Cl)=C\C(=O)NC2=O
(2)InChI: InChI=1/C12H8ClN3O2/c13-10-5-11(17)15-12(18)16(10)7-9-4-2-1-3-8(9)6-14/h1-5H,7H2,(H,15,17,18)
(3)InChIKey: JASGBRKRMPRRTD-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H8ClN3O2/c13-10-5-11(17)15-12(18)16(10)7-9-4-2-1-3-8(9)6-14/h1-5H,7H2,(H,15,17,18)
(5)Std. InChIKey: JASGBRKRMPRRTD-UHFFFAOYSA-N

Product Name

2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE

Benzonitrile, 2-[(6-chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]- Specification

Related Products

Hot Products