CAS No.41327-15-5,5-BROMO-3-METHYL-1-PHENYLPYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41327-15-5
Name:	5-BROMO-3-METHYL-1-PHENYLPYRAZOLE
Article Data:	6

Formula:	C₁₀H₉BrN₂
Molecular Weight:	237.099
Synonyms:	Pyrazole,5-bromo-3-methyl-1-phenyl- (7CI);
Density:	1.45 g/cm³
Boiling Point:	312.5 °C at 760 mmHg
Flash Point:	142.8 °C
PSA:	17.82000
LogP:	2.94320

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Specification

The CAS register number of 5-Bromo-3-Methyl-1-Phenylpyrazole is 41327-15-5. It also can be called as 5-Bromo-3-methyl-1-phenyl-1H-pyrazole and the IUPAC name about this chemical is 5-bromo-3-methyl-1-phenylpyrazole. The molecular formula about this chemical is C₁₀H₉BrN₂ and the molecular weight is 237.09586.

Physical properties about 5-Bromo-3-Methyl-1-Phenylpyrazole are: (1)ACD/LogP: 3.65; (2)ACD/LogD (pH 5.5): 3.65; (3)ACD/LogD (pH 7.4): 3.65; (4)ACD/BCF (pH 5.5): 348.32; (5)ACD/BCF (pH 7.4): 348.32; (6)ACD/KOC (pH 5.5): 2296.97; (7)ACD/KOC (pH 7.4): 2296.97; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.82 Å²; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 57.91 cm³; (13)Molar Volume: 163.6 cm³; (14)Polarizability: 22.95x10^-24cm³; (15)Surface Tension: 43.6 dyne/cm; (16)Flash Point: 142.8 °C; (17)Enthalpy of Vaporization: 53.14 kJ/mol; (18)Boiling Point: 312.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000968 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(Br)n(n1)c2ccccc2
(2)InChI: InChI=1/C10H9BrN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3
(3)InChIKey: CBUGJUKHYWJICM-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H9BrN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3
(5)Std. InChIKey: CBUGJUKHYWJICM-UHFFFAOYSA-N