1H-Pyrazole-1-aceticacid, 4-chloro-5-methyl-3-(trifluoromethyl)- supplier

Name
(4-CHLORO-5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-ACETIC ACID
EINECS
CAS No. 378758-70-4
Article Data3
CAS DataBase
Density 1.62 g/cm³
Solubility
Melting Point
Formula C₇H₆ClF₃N₂O₂
Boiling Point 335.3 °C at 760 mmHg
Molecular Weight 241.5756
Flash Point 156.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4-Chloro-5-methyl-3-trifluoromethylpyrazol-1-yl)aceticacid;2-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid;
PSA 55.12000
LogP 1.94830

1H-Pyrazole-1-aceticacid, 4-chloro-5-methyl-3-(trifluoromethyl)- Specification

The 1H-Pyrazole-1-aceticacid, 4-chloro-5-methyl-3-(trifluoromethyl)-, with CAS registry number 378758-70-4, has the systematic name of [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid. Besides this, it is also called (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-. And the chemical formula of this chemical is C₇H₆ClF₃N₂O₂.

Physical properties of 1H-Pyrazole-1-aceticacid, 4-chloro-5-methyl-3-(trifluoromethyl)-: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.61; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.12 Å²; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 45.52 cm³; (14)Molar Volume: 149.4 cm³; (15)Polarizability: 18.04×10^-24cm³; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 1.62 g/cm³; (18)Flash Point: 156.6 °C; (19)Enthalpy of Vaporization: 61.04 kJ/mol; (20)Boiling Point: 335.3 °C at 760 mmHg; (21)Vapour Pressure: 4.77E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cn1nc(c(Cl)c1C)C(F)(F)F
(2)InChI: InChI=1/C7H6ClF3N2O2/c1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15/h2H2,1H3,(H,14,15)
(3)InChIKey: IZBZQUREHISXFJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H6ClF3N2O2/c1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15/h2H2,1H3,(H,14,15)
(5)Std. InChIKey: IZBZQUREHISXFJ-UHFFFAOYSA-N

Product Name

(4-CHLORO-5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-ACETIC ACID

1H-Pyrazole-1-aceticacid, 4-chloro-5-methyl-3-(trifluoromethyl)- Specification

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