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| CAS No.: | 884494-95-5 |
|---|---|
| Name: | 5-Methylnicotinoyl chloride |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C7H6ClNO |
| Molecular Weight: | 155.584 |
| Synonyms: | 3-Pyridinecarbonylchloride,5-methyl;5-METHYLNICOTINOYL CHLORIDE;5-methyl-nicotinic acid chloride; |
| Density: | 1.241 g/cm3 |
| Boiling Point: | 251.255 °C at 760 mmHg |
| Flash Point: | 105.756 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 29.96000 |
| LogP: | 1.76900 |
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- Total:22 Page 1 of 1 1
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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