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1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-methyl-

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Name

1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-methyl-

EINECS N/A
CAS No. 473528-88-0 Density 1.73 g/cm3
PSA 34.89000 LogP 0.99510
Solubility N/A Melting Point 102-103°C
Formula C5H5BrN2O Boiling Point 275.2 °C at 760 mmHg
Molecular Weight 189.011 Flash Point 120.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 473528-88-0 (4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBALDEHYDE) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

4-Bromo-2-methyl-2H-pyrazole-3-carbaldehyde;

Article Data 6

1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-methyl- Specification

The 1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-methyl-, with the CAS registry number 473528-88-0, is also known as 4-Bromo-2-methyl-2H-pyrazole-3-carbaldehyde. This chemical's molecular formula is C5H5BrN2O and molecular weight is 189.01. What's more, its systematic name is 4-bromo-1-methyl-1H-pyrazole-5-carbaldehyde.

Physical properties of 1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-methyl- are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1.18; (6)ACD/BCF (pH 7.4): 1.18; (7)ACD/KOC (pH 5.5): 39.23; (8)ACD/KOC (pH 7.4): 39.23; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 38.26 cm3; (15)Molar Volume: 108.7 cm3; (16)Polarizability: 15.17×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.73 g/cm3; (19)Flash Point: 120.2 °C; (20)Enthalpy of Vaporization: 51.36 kJ/mol; (21)Boiling Point: 275.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00517 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnn(c1C=O)C
(2)Std. InChI: InChI=1S/C5H5BrN2O/c1-8-5(3-9)4(6)2-7-8/h2-3H,1H3
(3)Std. InChIKey: GXAHYXQWHWDEDY-UHFFFAOYSA-N

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