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5-Bromonicotinoyl chloride

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Name

5-Bromonicotinoyl chloride

EINECS N/A
CAS No. 39620-02-5 Density 1.76 g/cm3
PSA 29.96000 LogP 2.22310
Solubility N/A Melting Point 72-74 °C
Formula C6H3BrClNO Boiling Point 265.4 °C at 760 mmHg
Molecular Weight 220.453 Flash Point 114.3 °C
Transport Information UN 3261 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 39620-02-5 (5-BROMONICOTINOYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

5-Bromo-3-pyridinecarbonylchloride;

Article Data 52

5-Bromonicotinoyl chloride Specification

The CAS register number of 3-Pyridinecarbonylchloride, 5-bromo- is 39620-02-5. It also can be called as 5-Bromonicotinoyl chloride and the systematic name about this chemical is 5-bromopyridine-3-carbonyl chloride. The molecular formula about this chemical is C6H3BrClNO and the molecular weight is 220.45. It belongs to the following product categories which include Pyridine; Pyridines; Carbonyl Chlorides and so on.

Physical properties about 3-Pyridinecarbonylchloride, 5-bromo- are: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): 1.94; (3)ACD/LogD (pH 7.4): 1.94; (4)ACD/BCF (pH 5.5): 17.66; (5)ACD/BCF (pH 7.4): 17.66; (6)ACD/KOC (pH 5.5): 271.73; (7)ACD/KOC (pH 7.4): 271.73; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96Å2; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 42.27 cm3; (13)Molar Volume: 125.2 cm3; (14)Polarizability: 16.76x10-24cm3; (15)Surface Tension: 51.6 dyne/cm; (16)Flash Point: 114.3 °C; (17)Enthalpy of Vaporization: 50.33 kJ/mol; (18)Boiling Point: 265.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00918 mmHg at 25°C .

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1cncc(Br)c1
(2)InChI: InChI=1/C6H3BrClNO/c7-5-1-4(6(8)10)2-9-3-5/h1-3H
(3)InChIKey: FMDREJRIXNEGEG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H3BrClNO/c7-5-1-4(6(8)10)2-9-3-5/h1-3H
(5)Std. InChIKey: FMDREJRIXNEGEG-UHFFFAOYSA-N

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