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73583-41-2

Basic Information
CAS No.: 73583-41-2
Name: 4-Bromo-3-chloropyridine
Article Data: 3
Molecular Structure:
Molecular Structure of 73583-41-2 (4-Bromo-3-chloropyridine)
Formula: C5H3BrClN
Molecular Weight: 192.443
Synonyms: 3-Chloro-4-bromopyridine;
EINECS: -0
Density: 1.736 g/cm3
Boiling Point: 219.8 °C at 760 mmHg
Flash Point: 86.7 °C
Appearance: Light yellow cryst.
Hazard Symbols: T
Risk Codes: 25-37/38-41
Safety: 26-39-45
PSA: 12.89000
LogP: 2.49750
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    4-Bromo-3-chloropyridine Chemical Properties Boiling point 219.8±20.0 °C(Predicted) density 1.736±0.06 g/cm3(Predicted) pka 2.13±0.10(Predicted) CAS DataBase Reference 73583-41-2(CAS DataBase Reference)

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Specification

The 4-Bromo-3-chloropyridine is an organic compound with the formula C5H3BrClN. The IUPAC name of this chemical is 4-bromo-3-chloropyridine. With the CAS registry number 73583-41-2, it is also named as 3-Chloro-4-bromopyridine. The product's categories are Pyridine; Pharmacetical; Pyridine series; Halides; Pyridines. Besides, it is a light yellow crystal, which is mainly used as pharmaceutical intermediate.

Physical properties about 4-Bromo-3-chloropyridine are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/LogD (pH 7.4): 2.29; (4)ACD/BCF (pH 5.5): 32.58; (5)ACD/BCF (pH 7.4): 32.58; (6)ACD/KOC (pH 5.5): 421.25; (7)ACD/KOC (pH 7.4): 421.28; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.581; (11)Molar Refractivity: 36.92 cm3; (12)Molar Volume: 110.7 cm3; (13)Polarizability: 14.63×10-24cm3; (14)Surface Tension: 45.5 dyne/cm; (15)Density: 1.736 g/cm3; (16)Flash Point: 86.7 °C; (17)Enthalpy of Vaporization: 43.76 kJ/mol; (18)Boiling Point: 219.8 °C at 760 mmHg; (19)Vapour Pressure: 0.173 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccncc1Cl
(2)InChI: InChI=1/C5H3BrClN/c6-4-1-2-8-3-5(4)7/h1-3H
(3)InChIKey: CXXVUKYIBWZKHL-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H3BrClN/c6-4-1-2-8-3-5(4)7/h1-3H
(5)Std. InChIKey: CXXVUKYIBWZKHL-UHFFFAOYSA-N