CAS No.13788-92-6,1-(4-Bromophenyl)-1H-pyrazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13788-92-6
Name:	1-(4-Bromophenyl)-1H-pyrazole
Article Data:	24

Formula:	C₉H₇BrN₂
Molecular Weight:	223.072
Synonyms:	Pyrazole,1-(p-bromophenyl)- (7CI,8CI);1-(4-Bromophenyl)-1H-pyrazole;1-(4'-Bromophenyl)-1H-pyrazole;1-(p-Bromophenyl)pyrazole;
Density:	1.5 g/cm³
Melting Point:	71-72 °C(Solv: ethanol (64-17-5))
Boiling Point:	285.3 °C at 760 mmHg
Flash Point:	126.3 °C
PSA:	17.82000
LogP:	2.63480

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Specification

The 1H-Pyrazole,1-(4-bromophenyl)- has CAS registry number 13788-92-6. It belongs to the product categories of Blocks; Bromides; Heterocycles. This chemical's molecular formula is C₉H₇BrN₂ and molecular weight is 223.07. What's more, its systematic name is 1-(4-bromophenyl)-1H-pyrazole.

Physical properties of 1H-Pyrazole,1-(4-bromophenyl)- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.11; (6)ACD/BCF (pH 7.4): 92.11; (7)ACD/KOC (pH 5.5): 886.49; (8)ACD/KOC (pH 7.4): 886.49; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 53.48 cm³; (15)Molar Volume: 148.4 cm³; (16)Polarizability: 21.2×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.5 g/cm³; (19)Flash Point: 126.3 °C; (20)Enthalpy of Vaporization: 50.33 kJ/mol; (21)Boiling Point: 285.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00487 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)n2nccc2
(2)Std. InChI: InChI=1S/C9H7BrN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
(3)Std. InChIKey: SQCVGDMTHFQUKS-UHFFFAOYSA-N