Name: 3,5-dibroMo-2-chloropyridin-4-aMine
SKU: 1054484-40-0

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Basic Information

Molecular Structure:
CAS No.:	1054484-40-0
Name:	3,5-dibroMo-2-chloropyridin-4-aMine

Formula:	C₅H₃Br₂ClN₂
Molecular Weight:	286.35
Synonyms:	4-Amino-3,5-dibromo-2-chloropyridine;4-Pyridinamine, 3,5-dibromo-2-chloro;
Density:	2.215 g/cm³
Melting Point:	156～157℃
Boiling Point:	335.977 °C at 760 mmHg
Flash Point:	156.994 °C
PSA:	38.91000
LogP:	3.42340

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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