1H-Pyrazole-5-carboxylicacid, 4-bromo-1,3-dimethyl- supplier

Name
4-BROMO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
EINECS
CAS No. 5775-88-2
Article Data3
CAS DataBase
Density 1.8 g/cm³
Solubility
Melting Point 230-232 °C
Formula C₆H₇BrN₂O₂
Boiling Point 344 °C at 760 mmHg
Molecular Weight 219.04
Flash Point 161.8 °C
Transport Information
Appearance
Safety 26
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Bromo-2,5-dimethyl-2H-pyrazole-3-carboxylic acid;4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid;
PSA 55.12000
LogP 1.18920

1H-Pyrazole-5-carboxylicacid, 4-bromo-1,3-dimethyl- Specification

The 1H-Pyrazole-5-carboxylicacid, 4-bromo-1,3-dimethyl-, with the CAS registry number 5775-88-2, is also known as 4-Bromo-2,5-dimethyl-2H-pyrazole-3-carboxylic acid. This chemical's molecular formula is C₆H₇BrN₂O₂and molecular weight is 219.04. What's more, its systematic name is IUPAC name is 4-bromo-2,5-dimethylpyrazole-3-carboxylic acid. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Pyrazole-5-carboxylicacid, 4-bromo-1,3-dimethyl- are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -2.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 43.54 cm³; (15)Molar Volume: 121.4 cm³; (16)Polarizability: 17.26×10^-24cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.8 g/cm³; (19)Flash Point: 161.8 °C; (20)Enthalpy of Vaporization: 62.04 kJ/mol; (21)Boiling Point: 344 °C at 760 mmHg; (22)Vapour Pressure: 2.59E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(nn(c1C(=O)O)C)C
(2)Std. InChI: InChI=1S/C6H7BrN2O2/c1-3-4(7)5(6(10)11)9(2)8-3/h1-2H3,(H,10,11)
(3)Std. InChIKey: ZUEAEVZRYGUFPS-UHFFFAOYSA-N

Product Name

4-BROMO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

1H-Pyrazole-5-carboxylicacid, 4-bromo-1,3-dimethyl- Specification

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