1H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl-, ethyl ester supplier

Name
ETHYL 4-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
EINECS
CAS No. 20481-15-6
Article Data14
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point 89-90 °C
Formula C₁₁H₁₂ClN₃O₂
Boiling Point 356 °C at 760 mmHg
Molecular Weight 253.688
Flash Point 169.1 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Chloro-1,3-dimethyl-5-ethoxycarbonyl-1H-pyrazolo[3,4-b]pyridine;Ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester;Ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;Ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine5-carboxylate;ZINC00160980;AC1MC5GL;
PSA 57.01000
LogP 2.10680

1H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl-, ethyl ester Specification

The 1H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl-, ethyl ester with CAS registry number of 20481-15-6 is also known as 4-Chloro-1,3-dimethyl-5-ethoxycarbonyl-1H-pyrazolo[3,4-b]pyridine. The IUPAC name is Ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine5-carboxylate. In addition, the formula is C₁₁H₁₂ClN₃O₂ and the molecular weight is 253.68.

Physical properties about 1H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl-, ethyl ester are: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 2.07; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 22; (5)ACD/BCF (pH 7.4): 22; (6)ACD/KOC (pH 5.5): 318.11; (7)ACD/KOC (pH 7.4): 318.11; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.62; (11)Molar Refractivity: 64.48 cm³; (12)Molar Volume: 183.3 cm³; (13)Surface Tension: 44.7 dyne/cm; (14)Density: 1.38 g/cm³; (15)Flash Point: 169.1 °C; (16)Enthalpy of Vaporization: 60.12 kJ/mol; (17)Boiling Point: 356 °C at 760 mmHg; (18)Vapour Pressure: 3E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOC(=O)C1=CN=C2C(=C1Cl)C(=NN2C)C
2. InChI: InChI=1S/C11H12ClN3O2/c1-4-17-11(16)7-5-13-10-8(9(7)12)6(2)14-15(10)3/h5H,4H2,1-3H3
3. InChIKey: QJXXEUYFFZWYCX-UHFFFAOYSA-N

Product Name

ETHYL 4-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE

1H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl-, ethyl ester Specification

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