-
Name
5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
- EINECS
- CAS No. 100784-26-7
- Article Data2
- CAS DataBase
- Density 1.665 g/cm3
- Solubility
- Melting Point 121-123 oC
- Formula C7H10ClN3O4S
- Boiling Point 475.376 °C at 760 mmHg
- Molecular Weight 267.693
- Flash Point 241.299 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 112.66000
- LogP 1.67870
Ethyl 3-chloro-5-aminosulfonyl-1-methylpyrazole-4-carboxylate 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
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