3-Amino-6-chloropyrazine-2-carbonitrile supplier

Name
3-Amino-6-chloropyrazine-2-carbonitrile
EINECS
CAS No. 17231-50-4
Article Data7
CAS DataBase
Density 1.53 g/cm³
Solubility
Melting Point 151-153℃
Formula C₅H₃ClN₄
Boiling Point 349.6 °C at 760 mmHg
Molecular Weight 154.559
Flash Point 165.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-AMINO-6-CHLOROPYRAZINE-2-CARBONITRILE;3-Amino-6-chloro-2-pyrazinecarbonitrile;2-aMino-5-chloro-3-cyanopyrazine
PSA 75.59000
LogP 1.16508

3-Amino-6-chloropyrazine-2-carbonitrile Specification

This product is an organic compound with the formula C₅H₃ClN₄. The systematic name of this chemical is 3-amino-6-chloro-pyrazine-2-carbonitrile. With the CAS registry number 17231-50-4, it is also named as 2-pyrazinecarbonitrile, 3-amino-6-chloro-.

The other characteristics of 3-Amino-6-chloropyrazine-2-carbonitrile can be summarized as: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 75.59 Å²; (9)Index of Refraction: 1.621; (10)Molar Refractivity: 35.36 cm³; (11)Molar Volume: 100.4 cm³; (12)Polarizability: 14.01×10^-24 cm³; (13)Surface Tension: 89.6 dyne/cm; (14)Density: 1.53 g/cm³; (15)Flash Point: 165.2 °C; (16)Enthalpy of Vaporization: 59.41 kJ/mol; (17)Boiling Point: 349.6 °C at 760 mmHg; (18)Vapour Pressure: 4.65E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:N#Cc1nc(Cl)cnc1N
2. InChI:InChI=1/C5H3ClN4/c6-4-2-9-5(8)3(1-7)10-4/h2H,(H2,8,9)
3. InChIKey:OKSPUZDERJZNPO-UHFFFAOYAD
4. Std. InChI:InChI=1S/C5H3ClN4/c6-4-2-9-5(8)3(1-7)10-4/h2H,(H2,8,9)
5. Std. InChIKey:OKSPUZDERJZNPO-UHFFFAOYSA-N

Product Name

3-Amino-6-chloropyrazine-2-carbonitrile

3-Amino-6-chloropyrazine-2-carbonitrile Specification

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