1,3-Dimethylpyrazole-5-carboxylic acid supplier

Name
1,3-Dimethylpyrazole-5-carboxylic acid
EINECS
CAS No. 5744-56-9
Article Data17
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 209-211 °C
Formula C₆H₈N₂O₂
Boiling Point 302.4 °C at 760 mmHg
Molecular Weight 140.142
Flash Point 136.7 °C
Transport Information
Appearance
Safety 26-36/37/39-22
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn
Synonyms 1,3-Dimethyl-5-carboxypyrazole;1,3-Dimethylpyrazole-5-carboxylic acid;2,5-Dimethyl-2H-pyrazole-3-carboxylic acid;1,3-Dimethyl-1H-pyrazole-5-carboxylic acid;Pyrazole-5-carboxylicacid, 1,3-dimethyl- (6CI,7CI,8CI);1,3-dimethyl-1H-pyrazole-5-carboxylic acid;1H-Pyrazole-5-carboxylic acid, 1,3-dimethyl-;
PSA 55.12000
LogP 0.42670

1,3-Dimethylpyrazole-5-carboxylic acid Specification

The 1,3-Dimethylpyrazole-5-carboxylic acid, with the CAS registry number 5744-56-9, has the systematic name of 1,3-dimethyl-1H-pyrazole-5-carboxylic acid. It belongs to the following product categories: Carboxylic Acids; Pyrazoles & Triazoles; Pyrazole; Heterocycle; Carboxylic Acids. And the molecular formula of this chemical is C₆H₈N₂O₂.

The physical properties of 1,3-Dimethylpyrazole-5-carboxylic acid are as following: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.01; (4)ACD/LogD (pH 7.4): -2.82; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 35.98 cm³; (15)Molar Volume: 108.7 cm³; (16)Polarizability: 14.26×10^-24cm³; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 136.7 °C; (20)Enthalpy of Vaporization: 57.3 kJ/mol; (21)Boiling Point: 302.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000438 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting 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)c1cc(nn1C)C
(2)InChI: InChI=1/C6H8N2O2/c1-4-3-5(6(9)10)8(2)7-4/h3H,1-2H3,(H,9,10)
(3)InChIKey: QRWZFUBHOQWUGH-UHFFFAOYAJ

Product Name

1,3-Dimethylpyrazole-5-carboxylic acid

1,3-Dimethylpyrazole-5-carboxylic acid Specification

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