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3,5-Dibromo-2-chloro-4-pyridinamine

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Name

3,5-Dibromo-2-chloro-4-pyridinamine

EINECS N/A
CAS No. 1054484-40-0 Density 2.215 g/cm3
PSA 38.91000 LogP 3.42340
Solubility N/A Melting Point 156~157℃
Formula C5H3Br2ClN2 Boiling Point 335.977 °C at 760 mmHg
Molecular Weight 286.35 Flash Point 156.994 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1054484-40-0 (3,5-dibroMo-2-chloropyridin-4-aMine) Hazard Symbols N/A
Synonyms

4-Amino-3,5-dibromo-2-chloropyridine;4-Pyridinamine, 3,5-dibromo-2-chloro;

 

3,5-Dibromo-2-chloro-4-pyridinamine Specification

The 4-Pyridinamine,3,5-dibromo-2-chloro- is an organic compound with the formula C5H3Br2ClN2. The systematic name of this chemical is 3,5-dibromo-2-chloro-pyridin-4-amine. With the CAS registry number 1054484-40-0, it is also named as 4-Amino-3,5-dibromo-2-chloropyridine. In addition, the molecular weight is 286.35.

The other characteristics of 4-Pyridinamine,3,5-dibromo-2-chloro- can be summarized as: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.755; (4)ACD/LogD (pH 7.4): 3.755; (5)ACD/BCF (pH 5.5): 420.65; (6)ACD/BCF (pH 7.4): 420.656; (7)ACD/KOC (pH 5.5): 2629.086; (8)ACD/KOC (pH 7.4): 2629.122; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 48.856 cm3; (15)Molar Volume: 129.258 cm3; (16)Polarizability: 19.368×10-24 cm3; (17)Surface Tension: 62.969 dyne/cm; (18)Density: 2.215 g/cm3; (19)Flash Point: 156.994 °C; (20)Enthalpy of Vaporization: 57.909 kJ/mol; (21)Boiling Point: 335.977 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:c1c(c(c(c(n1)Cl)Br)N)Br
2. InChI:InChI=1/C5H3Br2ClN2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10) 
3. InChIKey:JSWRREFUDHGVFW-UHFFFAOYAL
4. Std. InChI:InChI=1S/C5H3Br2ClN2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10) 
5. Std. InChIKey:JSWRREFUDHGVFW-UHFFFAOYSA-N

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