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

Name
4-bromo-1-methylpyrazole-3-carboxy acid
EINECS
CAS No. 84547-84-2
Article Data7
CAS DataBase
Density 1.93 g/cm³
Solubility
Melting Point 235-236 °C
Formula C₅H₅BrN₂O₂
Boiling Point 347.4 °C at 760 mmHg
Molecular Weight 205.011
Flash Point 163.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole-5-carboxylicacid, 4-bromo-1-methyl- (6CI);1-Methyl-4-bromopyrazole-5-carboxylic acid;4-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid;4-Bromopyrazole-1-methyl-5-carboxylic acid;4-Bromo-1-methylpyrazole-3-carboxy acid;
PSA 55.12000
LogP 0.88080

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

The 1H-Pyrazole-5-carboxylicacid, 4-bromo-1-methyl-, with the CAS registry number 84547-84-2, is also known as 4-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid. This chemical's molecular formula is C₅H₅BrN₂O₂ and molecular weight is 205.01. What's more, its systematic name is called 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid.

Physical properties about 1H-Pyrazole-5-carboxylicacid, 4-bromo-1-methyl- are: (1) ACD/LogP: 0.25; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 4; (8) #H bond donors: 1; (9) #Freely Rotating Bonds: 1; (10) Polar Surface Area: 44.12 Å²; (11) Index of Refraction: 1.658; (12) Molar Refractivity: 39.11 cm³; (13) Molar Volume: 106.1 cm³; (14) Surface Tension: 58.7 dyne/cm; (15) Density: 1.93 g/cm³; (16) Flash Point: 163.9 °C; (17) Enthalpy of Vaporization: 62.44 kJ/mol; (18) Boiling Point: 347.4 °C at 760 mmHg; (19) Vapour Pressure: 2.03E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnn(c1C(=O)O)C
(2) InChI: InChI=1/C5H5BrN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)
(3) InChIKey: YXIJCAVZGBGUKM-UHFFFAOYAU

Product Name

4-bromo-1-methylpyrazole-3-carboxy acid

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

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