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2-Bromo-3-chloropyridine

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Name

2-Bromo-3-chloropyridine

EINECS -0
CAS No. 96424-68-9 Density 1.736 g/cm3
PSA 12.89000 LogP 2.49750
Solubility Insoluble in water Melting Point 59 °C
Formula C5H3BrClN Boiling Point 223.9 °C at 760 mmHg
Molecular Weight 192.443 Flash Point 89.2 °C
Transport Information N/A Appearance white powder
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 96424-68-9 (2-Bromo-3-chloropyridine) Hazard Symbols IrritantXi
Synonyms

2-Bromo-3-Chloro Pyridine;

Article Data 8

2-Bromo-3-chloropyridine Specification

The IUPAC name of this chemical is 2-bromo-3-chloropyridine. With the CAS registry number 96424-68-9, it is also named as Pyridine, 2-bromo-3-chloro-. The product's categories are Pharmacetical; Pyridine Series; Halides; Pyridines; Pyridine; Variety of Halogenated Heterocyclic Series. It is white powder which is insoluble in water and stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 2-Bromo-3-chloropyridine can be summarized as: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 32.07; (6)ACD/BCF (pH 7.4): 32.07; (7)ACD/KOC (pH 5.5): 416.59; (8)ACD/KOC (pH 7.4): 416.59; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 36.92 cm3; (14)Molar Volume: 110.7 cm3; (15)Polarizability: 14.63×10-24 cm3; (16)Surface Tension: 45.5 dyne/cm; (17)Enthalpy of Vaporization: 44.17 kJ/mol; (18)Vapour Pressure: 0.14 mmHg at 25°C; (19)Exact Mass: 190.913739; (20)MonoIsotopic Mass: 190.913739; (21)Topological Polar Surface Area: 12.9; (22)Heavy Atom Count: 8; (23)Complexity: 78.8.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.  

People can use the following data to convert to the molecule structure. 
1. SMILES:Clc1cccnc1Br
2. InChI:InChI=1/C5H3BrClN/c6-5-4(7)2-1-3-8-5/h1-3H 
3. InChIKey:GOHBBINNYAWQGO-UHFFFAOYAA
4. Std. InChI:InChI=1S/C5H3BrClN/c6-5-4(7)2-1-3-8-5/h1-3H
5. Std. InChIKey:GOHBBINNYAWQGO-UHFFFAOYSA-N

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