CAS No.83467-28-1,4-(2-BROMO-ETHYL)-3,5-DIMETHYL-1H-PYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83467-28-1
Name:	4-(2-BROMO-ETHYL)-3,5-DIMETHYL-1H-PYRAZOLE
Article Data:	2

Formula:	C₇H₁₁BrN₂
Molecular Weight:	203.082
Synonyms:	4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole;1H-Pyrazole, 4-(2-bromoethyl)-3,5-dimethyl-;4-(2-bromoethyl)-3,5-dimethylpyrazole;
Density:	1.455 g/cm³
Boiling Point:	308.4 °C at 760 mmHg
Flash Point:	140.3 °C
Hazard Symbols:	Xi
PSA:	28.68000
LogP:	1.96390

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Specification

The 1H-Pyrazole,4-(2-bromoethyl)-3,5-dimethyl-, with the CAS registry number 83467-28-1, has the systematic name of 4-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₁₁BrN₂.

The characteristics of 1H-Pyrazole,4-(2-bromoethyl)-3,5-dimethyl- are as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 22.19; (6)ACD/BCF (pH 7.4): 23.54; (7)ACD/KOC (pH 5.5): 314.68; (8)ACD/KOC (pH 7.4): 333.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 45.7 cm³; (15)Molar Volume: 139.5 cm³; (16)Polarizability: 18.12×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.455 g/cm³; (19)Flash Point: 140.3 °C; (20)Enthalpy of Vaporization: 52.71 kJ/mol; (21)Boiling Point: 308.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00124 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCCc1c(nnc1C)C
(2)InChI: InChI=1/C7H11BrN2/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)
(3)InChIKey: HGGLMDBNLJUEKA-UHFFFAOYAK