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5-Methylnicotinoyl chloride

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Name

5-Methylnicotinoyl chloride

EINECS N/A
CAS No. 884494-95-5 Density 1.241 g/cm3
PSA 29.96000 LogP 1.76900
Solubility N/A Melting Point N/A
Formula C7H6ClNO Boiling Point 251.255 °C at 760 mmHg
Molecular Weight 155.584 Flash Point 105.756 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 884494-95-5 (5-Methylnicotinoyl chloride) Hazard Symbols Xi
Synonyms

3-Pyridinecarbonylchloride,5-methyl;5-METHYLNICOTINOYL CHLORIDE;5-methyl-nicotinic acid chloride;

Article Data 10

5-Methylnicotinoyl chloride Specification

The Chloro(5-methylpyridin-3-yl)methanol is an organic compound with the formula C7H6ClNO. The systematic name of this chemical is 5-methylpyridine-3-carbonyl chloride. With the CAS registry number 884494-95-5, it is also named as 3-pyridinecarbonyl chloride, 5-methyl-. The product's category is API Intermediates.

Physical properties about Chloro(5-methylpyridin-3-yl)methanol are: (1)ACD/LogP: 1.17; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 104; (7)ACD/KOC (pH 7.4): 104; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 Å2; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 39.413 cm3; (13)Molar Volume: 125.341 cm3; (14)Polarizability: 15.625×10-24cm3; (15)Surface Tension: 44.049 dyne/cm; (16)Density: 1.241 g/cm3; (17)Flash Point: 105.756 °C; (18)Enthalpy of Vaporization: 48.856 kJ/mol; (19)Boiling Point: 251.255 °C at 760 mmHg; (20)Vapour Pressure: 0.021 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1cncc(C)c1
(2)InChI: InChI=1/C7H6ClNO/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3
(3)InChIKey: OSFVFNVXUQRYIX-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H6ClNO/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3
(5)Std. InChIKey: OSFVFNVXUQRYIX-UHFFFAOYSA-N

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