Pyrazine,2-chloro-5-nitro- supplier

Name
2-CHLORO-5-NITROPYRAZINE
EINECS
CAS No. 87885-45-8
Article Data2
CAS DataBase
Density 1.6 g/cm³
Solubility
Melting Point 88-90 °C
Formula C₄H₂ClN₃O₂
Boiling Point 279.2 °C at 760 mmHg
Molecular Weight 159.532
Flash Point 122.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-5-nitropyrazine;
PSA 71.60000
LogP 1.56140

Pyrazine,2-chloro-5-nitro- Specification

The Pyrazine,2-chloro-5-nitro- is an organic compound with the formula C₄H₂ClN₃O₂. The systematic name of this chemical is 2-chloro-5-nitropyrazine and the CAS registry number is 87885-45-8. In addition, the molecular weight is 159.53.

The other characteristics of Pyrazine,2-chloro-5-nitro- can be summarized as: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 1.68; (6)ACD/BCF (pH 7.4): 1.68; (7)ACD/KOC (pH 5.5): 50.44; (8)ACD/KOC (pH 7.4): 50.44; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 33.87 cm³; (15)Molar Volume: 99.6 cm³; (16)Polarizability: 13.42×10^-24cm³; (17)Surface Tension: 68.6 dyne/cm; (18)Density: 1.6 g/cm³; (19)Flash Point: 122.7 °C; (20)Enthalpy of Vaporization: 49.71 kJ/mol; (21)Boiling Point: 279.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0069 mmHg at 25°C.

Uses of Pyrazine,2-chloro-5-nitro-: It can react with 3-amino-propane-1,2-diol to get 2-(2,3-dihydroxypropyl)amino-5-nitropyrazine. This reaction needs reagent triethylamine and solvent propan-2-ol, acetonitrile at ambient temperature. The reaction time is 18 hours. The yield is 79%.

People can use the following data to convert to the molecule structure.
1.SMILES: O=[N+]([O-])c1ncc(Cl)nc1
2.InChI: InChI=1/C4H2ClN3O2/c5-3-1-7-4(2-6-3)8(9)10/h1-2H
3.InChIKey: LONXFNWBWBLJNP-UHFFFAOYAK

Product Name

2-CHLORO-5-NITROPYRAZINE

Pyrazine,2-chloro-5-nitro- Specification

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