4,6-Diamino-2-bromonicotinonitrile supplier

Name
4,6-Diamino-2-bromonicotinonitrile
EINECS 255-872-7
CAS No. 42530-03-0
Article Data5
CAS DataBase
Density 1.88 g/cm³
Solubility
Melting Point
Formula C₆H₅BrN₄
Boiling Point 503.5 °C at 760 mmHg
Molecular Weight 213.037
Flash Point 258.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Diamino-5-cyano-6-bromopyridine;
PSA 88.72000
LogP 2.04258

4,6-Diamino-2-bromonicotinonitrile Specification

The 4, 6-Diamino-2-bromonicotinonitrile, with the CAS registry number of 42530-03-0, is also known as 2, 4-Diamino-5-cyano-6-bromopyridine. Its EINECS registry number is 255-872-7. This chemical's molecular formula is C₆H₅BrN₄ and molecular weight is 213.0347. What's more, its IUPAC name is 4, 6-Diamino-2-bromopyridine-3-carbonitrile.

Physical properties about 4, 6-Diamino-2-bromonicotinonitrile are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 130.61; (6)ACD/BCF (pH 7.4): 130.66; (7)ACD/KOC (pH 5.5): 1138.09; (8)ACD/KOC (pH 7.4): 1138.54; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.16 Å²; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 44.07 cm³; (15)Molar Volume: 112.9 cm³; (16)Surface Tension: 98.2 dyne/cm; (17)Density: 1.88 g/cm³; (18)Flash Point: 258.3 °C; (19)Enthalpy of Vaporization: 77.27 kJ/mol; (20)Boiling Point: 503.5 °C at 760 mmHg; (21)Vapour Pressure: 2.9E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(cc(nc1Br)N)N
(2) InChI: InChI=1/C6H5BrN4/c7-6-3(2-8)4(9)1-5(10)11-6/h1H,(H4,9,10,11)
(3) InChIKey: NKXPRYBNUGINBZ-UHFFFAOYAU

Product Name

4,6-Diamino-2-bromonicotinonitrile

4,6-Diamino-2-bromonicotinonitrile Specification

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