1H-Pyrazole,1-(2-bromophenyl)- supplier

Name
1-(2-BROMOPHENYL)-1H-PYRAZOLE
EINECS
CAS No. 87488-84-4
Article Data6
CAS DataBase
Density 1.5 g/cm³
Solubility
Melting Point
Formula C₉H₇BrN₂
Boiling Point 296.6 °C at 760 mmHg
Molecular Weight 223.072
Flash Point 133.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2-Bromophenyl)-1H-pyrazole;
PSA 17.82000
LogP 2.63480

1H-Pyrazole,1-(2-bromophenyl)- Specification

This chemical is called 1H-Pyrazole, 1-(2-bromophenyl)-, and it can also be named as 1-(2-Bromophenyl)-1H-pyrazole. With the molecular formula of C₉H₇BrN₂, its molecular weight is 87488-84-4. The CAS registry number of this chemical is 87488-84-4.

Other characteristics of the 1H-Pyrazole, 1-(2-bromophenyl)- can be summarised as followings: (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: 133.2 °C; (20)Enthalpy of Vaporization: 51.49 kJ/mol; (21)Boiling Point: 296.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00251 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccccc1n2nccc2
2.InChI: InChI=1/C9H7BrN2/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H
3.InChIKey: QNDJHGODPWAKAO-UHFFFAOYAR

Product Name

1-(2-BROMOPHENYL)-1H-PYRAZOLE

1H-Pyrazole,1-(2-bromophenyl)- Specification

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