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| CAS No.: | 94015-05-1 |
|---|---|
| Name: | 4-METHYLNICOTINIC ACID HYDROCHLORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H7NO2.HCl |
| Molecular Weight: | 173.599 |
| Synonyms: | 3-Pyridinecarboxylicacid, 4-methyl-, hydrochloride (9CI);4-Methyl-3-pyridinecarboxylic acid hydrochloride;4-Methylnicotinic acid hydrochloride;4-Methylnicotinic acid hydrochloride salt; |
| EINECS: | -0 |
| Density: | 1.23g/cm3 |
| Melting Point: | 241 °C |
| Boiling Point: | 304.1 °C at 760 mmHg |
| Flash Point: | 137.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 50.19000 |
| LogP: | 1.89020 |
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Specification
The CAS register number of 4-Methylnicotinic acid hydrochloride is 94015-05-1. It also can be called as 3-Pyridinecarboxylicacid, 4-methyl-, hydrochloride (1:1) and the systematic name about this chemical is 3-carboxy-4-methylpyridinium chloride. The molecular formula about this chemical is C7H7NO2.HCl and molecular weight is 173.60. It belongs to the following product categories which include Carboxylic Acids; Pyridines; Carboxylic Acids and so on.
Physical properties about 4-Methylnicotinic acid hydrochloride are: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 5.5): -1.8; (3)ACD/LogD (pH 7.4): -2.5; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 30.18Å2; (12)Flash Point: 137.7 °C; (13)Enthalpy of Vaporization: 57.49 kJ/mol; (14)Boiling Point: 304.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000392 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, gloves and eye/face protection. 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: [Cl-].O=C(O)c1c(cc[nH+]c1)C
(2)InChI: InChI=1/C7H7NO2.ClH/c1-5-2-3-8-4-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H
(3)InChIKey: QNKFCIXWPNMUAH-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H7NO2.ClH/c1-5-2-3-8-4-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H
(5)Std. InChIKey: QNKFCIXWPNMUAH-UHFFFAOYSA-N