CAS No.1269293-48-2,Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1269293-48-2
Name:	Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate

Formula:	C₇H₉BrN₂O₂
Molecular Weight:	233.065
Synonyms:	5-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester;
Density:	1.588 g/cm³
Boiling Point:	294.216 °C at 760 mmHg
Flash Point:	131.737 °C
PSA:	44.12000
LogP:	1.35930

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Specification

The Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate, with the CAS registry number 1269293-48-2, is also known as 5-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester. This chemical's molecular formula is C₇H₉BrN₂O₂ and molecular weight is 233.0626. What's more, its systematic name is Ethyl 5-bromo-1-methyl-pyrazole-3-carboxylate.

Physical properties about Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.326; (4)ACD/LogD (pH 7.4): 1.326; (5)ACD/BCF (pH 5.5): 5.993; (6)ACD/BCF (pH 7.4): 5.993; (7)ACD/KOC (pH 5.5): 125.389; (8)ACD/KOC (pH 7.4): 125.389; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 48.69 cm³; (15)Molar Volume: 146.784 cm³; (16)Polarizability: 19.302×10^-24 cm³; (17)Surface Tension: 43.537 dyne/cm; (18)Density: 1.588 g/cm³; (19)Flash Point: 131.737 °C; (20)Enthalpy of Vaporization: 53.384 kJ/mol; (21)Boiling Point: 294.216 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cc(n(n1)C)Br
(2) InChI: InChI=1/C7H9BrN2O2/c1-3-12-7(11)5-4-6(8)10(2)9-5/h4H,3H2,1-2H3
(3) InChIKey: AZFAPSHASGINRH-UHFFFAOYAI