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

Name
4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBALDEHYDE
EINECS
CAS No. 473528-88-0
Article Data6
CAS DataBase
Density 1.73 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 4-Bromo-2-methyl-2H-pyrazole-3-carbaldehyde;
PSA 34.89000
LogP 0.99510

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

Product Name

4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBALDEHYDE

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

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