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100784-26-7

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Basic Information
CAS No.: 100784-26-7
Name: 5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
Article Data: 2
Molecular Structure:
Molecular Structure of 100784-26-7 (5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester)
Formula: C7H10ClN3O4S
Molecular Weight: 267.693
Synonyms: 5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl 3-chloro-5-aminosulfonyl-1-methylpyrazole-4-carboxylate;Ethyl 3-chloro-1-Methyl-5-sulfaMoyl-1H-pyrazole-4-carboxylate
Density: 1.665 g/cm3
Melting Point: 121-123 oC
Boiling Point: 475.376 °C at 760 mmHg
Flash Point: 241.299 °C
PSA: 112.66000
LogP: 1.67870
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Specification

The Ethyl 3-chloro-5-aminosulfonyl-1-methylpyrazole-4-carboxylate ,its cas register number is 100784-26-7.It also can be called as 5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester and the Systematic name about this chemical is Ethyl 3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylate .

Following are the chemical properties about Ethyl 3-chloro-5-aminosulfonyl-1-methylpyrazole-4-carboxylate :(1)#H bond acceptors: 7 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 4 ; (4)Polar Surface Area: 112.66Å2 ; (5)Index of Refraction: 1.633 ; (6)Molar Refractivity: 57.403 cm3 ; (7)Molar Volume: 160.778 cm3 ; (8)Polarizability: 22.756x10-24cm3 ; (9)Surface Tension: 61.722 dyne/cm ; (10)Enthalpy of Vaporization: 73.888 kJ/mol ; (11)Vapour Pressure: 0 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: O=S(N)(=O)c1c(C(=O)OCC)c(Cl)nn1C
(2)InChI: InChI=1/C7H10ClN3O4S/c1-3-15-7(12)4-5(8)10-11(2)6(4)16(9,13)14/h3H2,1-2H3,(H2,9,13,14)
(3)InChIKey: VPTSMJHJEDWLSP-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H10ClN3O4S/c1-3-15-7(12)4-5(8)10-11(2)6(4)16(9,13)14/h3H2,1-2H3,(H2,9,13,14)
(5)Std. InChIKey: VPTSMJHJEDWLSP-UHFFFAOYSA-N