1H-Pyrazole-5-carbonylchloride, 1-[(2,4-dichlorophenyl)methyl]-3-(1,1-dimethylethyl)- supplier

Name
3-(TERT-BUTYL)-1-(2,4-DICHLOROBENZYL)-1H-PYRAZOLE-5-CARBONYL CHLORIDE
EINECS
CAS No. 306937-15-5
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₅Cl₃N₂O
Boiling Point 451.6 °C at 760 mmHg
Molecular Weight 345.65
Flash Point 226.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-tert-Butyl-1-(2,4-dichlorobenzyl)-1H-pyrazole-5-carbonyl chloride;
PSA 34.89000
LogP 4.91470

1H-Pyrazole-5-carbonylchloride, 1-[(2,4-dichlorophenyl)methyl]-3-(1,1-dimethylethyl)- Specification

The 1H-Pyrazole-5-carbonylchloride, 1-[(2,4-dichlorophenyl)methyl]-3-(1,1-dimethylethyl)-, with the CAS registry number 306937-15-5, is also known as 3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazole-5-carbonyl chloride. This chemical's molecular formula is C₁₅H₁₅Cl₃N₂O and molecular weight is 345.6514. Its systematic name is called 3-tert-butyl-1-(2,4-dichlorobenzyl)-1H-pyrazole-5-carbonyl chloride. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Pyrazole-5-carbonylchloride, 1-[(2,4-dichlorophenyl)methyl]-3-(1,1-dimethylethyl)-: (1)ACD/LogP: 4.66; (2)ACD/LogD (pH 5.5): 4.66; (3)ACD/LogD (pH 7.4): 4.66; (4)ACD/BCF (pH 5.5): 2056.66; (5)ACD/BCF (pH 7.4): 2056.66; (6)ACD/KOC (pH 5.5): 8187.64; (7)ACD/KOC (pH 7.4): 8187.64; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.592; (11)Molar Refractivity: 88.21 cm³; (12)Molar Volume: 260.5 cm³; (13)Surface Tension: 41.7 dyne/cm; (14)Density: 1.32 g/cm³; (15)Flash Point: 226.9 °C; (16)Enthalpy of Vaporization: 71.07 kJ/mol; (17)Boiling Point: 451.6 °C at 760 mmHg; (18)Vapour Pressure: 2.4E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1cc(nn1Cc2c(Cl)cc(Cl)cc2)C(C)(C)C
(2)InChI: InChI=1/C15H15Cl3N2O/c1-15(2,3)13-7-12(14(18)21)20(19-13)8-9-4-5-10(16)6-11(9)17/h4-7H,8H2,1-3H3
(3)InChIKey: HZVOAGUTHDHWSB-UHFFFAOYAT

Product Name

3-(TERT-BUTYL)-1-(2,4-DICHLOROBENZYL)-1H-PYRAZOLE-5-CARBONYL CHLORIDE

1H-Pyrazole-5-carbonylchloride, 1-[(2,4-dichlorophenyl)methyl]-3-(1,1-dimethylethyl)- Specification

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