CAS No.86454-13-9,2-HYDROXY-6-METHYLISONICOTINIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	86454-13-9
Name:	2-HYDROXY-6-METHYLISONICOTINIC ACID
Article Data:	11

Formula:	C₇H₇NO₃
Molecular Weight:	153.137
Synonyms:	Isonicotinicacid, 1,2-dihydro-6-methyl-2-oxo- (6CI,7CI);2-Hydroxy-6-methylisonicotinicacid;6-Methyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid;NSC 124849;
EINECS:	626-175-9
Density:	1.345 g/cm³
Melting Point:	>300 °C(lit.)
Boiling Point:	371.2 °C at 760 mmHg
Flash Point:	178.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	70.42000
LogP:	0.79380

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Specification

The 4-Pyridinecarboxylicacid, 1,2-dihydro-6-methyl-2-oxo- is an organic compound with the formula C₇H₇NO₃. The systematic name of this chemical is 6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid. With the CAS registry number 86454-13-9, it is also named as 2-Hydroxy-6-methylisonicotinic acid. The product's category is Carboxylicacid. Besides, it should be stored in a closed cool and dry place.

Physical properties about 4-Pyridinecarboxylicacid, 1,2-dihydro-6-methyl-2-oxo- are: (1)ACD/LogP: -0.21; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 46.61 Å²; (10)Index of Refraction: 1.555; (11)Molar Refractivity: 36.55 cm³; (12)Molar Volume: 113.7 cm³; (13)Polarizability: 14.49×10^-24cm³; (14)Surface Tension: 51 dyne/cm; (15)Density: 1.345 g/cm³; (16)Flash Point: 178.3 °C; (17)Enthalpy of Vaporization: 67.89 kJ/mol; (18)Boiling Point: 371.2 °C at 760 mmHg; (19)Vapour Pressure: 1.57E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C=1\C=C(/NC(=O)C=1)C
(2)InChI: InChI=1/C7H7NO3/c1-4-2-5(7(10)11)3-6(9)8-4/h2-3H,1H3,(H,8,9)(H,10,11)
(3)InChIKey: NQXYVTIQDNOHFM-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H7NO3/c1-4-2-5(7(10)11)3-6(9)8-4/h2-3H,1H3,(H,8,9)(H,10,11)
(5)Std. InChIKey: NQXYVTIQDNOHFM-UHFFFAOYSA-N