5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester supplier

Name
5-(aminosulfonyl)-3-chloro-1-methyl-1H- pyrazol
EINECS 无资料
CAS No. 100784-27-8
Article Data5
CAS DataBase
Density 1.753 g/cm³
Solubility 无资料
Melting Point 138-139℃
Formula C₆H₈ClN₃O₄S
Boiling Point 473.406 °C at 760 mmHg
Molecular Weight 253.66
Flash Point 240.108 °C
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Hazard Symbols
Synonyms 3-Chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylicacid methyl ester;5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester;
PSA 86.36000
LogP 1.50200

5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester Specification

The CAS register number of 5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester is 100784-27-8. It also can be called as 1H-Pyrazole-4-carboxylicacid, 5-(aminosulfonyl)-3-chloro-1-methyl-, methyl ester and the systematic name about this chemical is methyl 3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylate. The molecular formula about this chemical is C₆H₈ClN₃O₄S and the molecular weight is 253.66.

Physical properties about 5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester are: (1)ACD/LogP: -1.64; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6; (7)ACD/KOC (pH 7.4): 6; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 112.66Å²; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 52.794 cm³; (14)Molar Volume: 144.66 cm³; (15)Polarizability: 20.929x10^-24cm³; (16)Surface Tension: 65.819 dyne/cm; (17)Enthalpy of Vaporization: 73.653 kJ/mol; (18)Boiling Point: 473.406 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1c(C(=O)OC)c(Cl)nn1C)N
(2)InChI: InChI=1/C6H8ClN3O4S/c1-10-5(15(8,12)13)3(4(7)9-10)6(11)14-2/h1-2H3,(H2,8,12,13)
(3)InChIKey: PVZNZXMAJKZBCU-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H8ClN3O4S/c1-10-5(15(8,12)13)3(4(7)9-10)6(11)14-2/h1-2H3,(H2,8,12,13)
(5)Std. InChIKey: PVZNZXMAJKZBCU-UHFFFAOYSA-N

Product Name

5-(aminosulfonyl)-3-chloro-1-methyl-1H- pyrazol

5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester Specification

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