1H-Pyrazole,4-bromo-1-ethyl- supplier

Name
4-Bromo-1-ethyl-1H-pyrazole
EINECS
CAS No. 71229-85-1
Article Data11
CAS DataBase
Density 1.572 g/cm³
Solubility
Melting Point
Formula C₅H₇BrN₂
Boiling Point 211.458 °C at 760 mmHg
Molecular Weight 175.03
Flash Point 81.687 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Bromo-1-ethylpyrazole;4-Bromo-1-ethyl-1H-pyrazole;1H-pyrazole, 4-bromo-1-ethyl-;
PSA 17.82000
LogP 1.66550

1H-Pyrazole,4-bromo-1-ethyl- Specification

The 1H-Pyrazole,4-bromo-1-ethyl-, with the CAS registry number 71229-85-1, has the systematic name of 4-bromo-1-ethyl-1H-pyrazole. It belongs to the following product categories: Blocks; Bromides; Halides; Pyrazoles & Triazoles; Pyrazoles & Triazoles. And the molecular formula of the chemical is C₅H₇BrN₂.

The characteristics of 1H-Pyrazole,4-bromo-1-ethyl- are as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 150; (8)ACD/KOC (pH 7.4): 150; (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: 1.587; (14)Molar Refractivity: 37.416 cm³; (15)Molar Volume: 111.341 cm³; (16)Polarizability: 14.833×10^-24cm³; (17)Surface Tension: 41.444 dyne/cm; (18)Density: 1.572 g/cm³; (19)Flash Point: 81.687 °C; (20)Enthalpy of Vaporization: 42.949 kJ/mol; (21)Boiling Point: 211.458 °C at 760 mmHg; (22)Vapour Pressure: 0.265 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cnn(CC)c1
(2)InChI: InChI=1/C5H7BrN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
(3)InChIKey: IPMSARLBJARXSC-UHFFFAOYAQ

Product Name

4-Bromo-1-ethyl-1H-pyrazole

1H-Pyrazole,4-bromo-1-ethyl- Specification

Related Products

Hot Products