4(1H)-Pyrimidinone,6-chloro-2-methyl-5-nitro- supplier

Name
2-Methyl-6-Chloro-5-Nitro-4(1H)-Pyrimidinone
EINECS
CAS No. 82779-50-8
Article Data3
CAS DataBase
Density 1.805 g/cm³
Solubility
Melting Point
Formula C₅H₄ClN₃O₃
Boiling Point 223.5±50.0 °C(Predicted)
Molecular Weight 189.558
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-chloro-2-methyl-5-nitro-1H-pyrimidin-6-one;6-chloro-2-methyl-5-nitro-1H-pyrimidin-4-one;4(1H)-pyrimidinone, 6-chloro-2-methyl-5-nitro-;2-Methyl-6-Chloro-5-Nitro-4(1H)-Pyrimidinone;6-chloro-2-methyl-5-nitropyrimidin-4(3H)-one;
PSA 91.57000
LogP 1.16310

4(1H)-Pyrimidinone,6-chloro-2-methyl-5-nitro- Specification

The 4(1H)-Pyrimidinone,6-chloro-2-methyl-5-nitro-, with the CAS registry number 82779-50-8, has the systematic name of 4-chloro-2-methyl-5-nitro-1H-pyrimidin-6-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₅H₄ClN₃O₃.

The characteristics of 4(1H)-Pyrimidinone,6-chloro-2-methyl-5-nitro- are as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4.369; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 87.28 Å²; (11)Index of Refraction: 1.689; (12)Molar Refractivity: 40.07 cm³; (13)Molar Volume: 105.003 cm³; (14)Polarizability: 15.885×10^-24cm³; (15)Surface Tension: 70.791 dyne/cm; (16)Density: 1.805 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1[nH]c(=O)c(c(n1)Cl)N(=O)=O
(2)InChI: InChI=1/C5H4ClN3O3/c1-2-7-4(6)3(9(11)12)5(10)8-2/h1H3,(H,7,8,10)
(3)InChIKey: JQKZPYLOKMRABP-UHFFFAOYAC

Product Name

2-Methyl-6-Chloro-5-Nitro-4(1H)-Pyrimidinone

4(1H)-Pyrimidinone,6-chloro-2-methyl-5-nitro- Specification

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