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CAS No.: | 55314-30-2 |
---|---|
Name: | 2,4-DIMETHYL-3-PYRIDINECARBOXYLIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H9NO2 |
Molecular Weight: | 151.165 |
Synonyms: | 2,4-Dimethyl-3-carboxypyridine;2,4-Dimethylnicotinic acid;2,4-Dimethylpyridine-3-carboxylic acid; |
Density: | 1.183 g/cm3 |
Melting Point: | 183-190oC |
Boiling Point: | 295.9 °C at 760 mmHg |
Flash Point: | 132.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 50.19000 |
LogP: | 1.39660 |
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The 2,4-Dimethyl-3-pyridine carboxylic acid, with CAS registry number 55314-30-2, belongs to the following product categories: (1)Carboxylic Acid; (2)Pharmacetical. It has the systematic name of 2,4-dimethylpyridine-3-carboxylic acid. And the chemical formula of this chemical is C8H9NO2.
Physical properties of 2,4-Dimethyl-3-pyridine carboxylic acid: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.45; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 40.92 cm3; (15)Molar Volume: 127.7 cm3; (16)Polarizability: 16.22×10-24cm3; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 132.8 °C; (20)Enthalpy of Vaporization: 56.57 kJ/mol; (21)Boiling Point: 295.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00067 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2,4-Dimethyl-3-pyridine carboxylic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)c1c(ccnc1C)C
(2)InChI: InChI=1/C8H9NO2/c1-5-3-4-9-6(2)7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
(3)InChIKey: XSZKVKMGSAAAJZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H9NO2/c1-5-3-4-9-6(2)7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
(5)Std. InChIKey: XSZKVKMGSAAAJZ-UHFFFAOYSA-N