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3-tert-Butyl-1-methylpyrazole-5-carboxylic acid

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Name

3-tert-Butyl-1-methylpyrazole-5-carboxylic acid

EINECS N/A
CAS No. 175277-11-9 Density 1.13 g/cm3
PSA 55.12000 LogP 1.41580
Solubility N/A Melting Point 151 °C
Formula C9H14N2O2 Boiling Point 317.7 °C at 760mmHg
Molecular Weight 182.222 Flash Point 146 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175277-11-9 (3-(TERT-BUTYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

TIMTEC-BB SBB010222;BUTTPARK 52\11-22;5-TERT-BUTYL-2-METHYL-2 H-PYRAZOLE-3-CARBOXYLIC ACID;3-TERT-BUTYL-1-METHYLPYRAZOLE-5-CARBOXYLIC ACID;3-(TERT-BUTYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID;3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid, 95+%;3-(T-BUTYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID;3-(tert-Butyl)-5-carboxy-1-methyl-1H-pyrazole

Article Data 6

3-tert-Butyl-1-methylpyrazole-5-carboxylic acid Specification

This chemical is called 3-tert-Butyl-1-methylpyrazole-5-carboxylic acid, and its CAS registry number is 175277-11-9. With the molecular formula of C9H14N2O2, its molecular weight is 182.22. 

Other characteristics of the 3-tert-Butyl-1-methylpyrazole-5-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.53; (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: 2; (10)Polar Surface Area: 44.12 Å2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 49.97 cm3; (13)Molar Volume: 160.8 cm3; (14)Polarizability: 19.81×10-24cm3; (15)Surface Tension: 37.1 dyne/cm; (16)Density: 1.13 g/cm3; (17)Flash Point: 146 °C; (18)Enthalpy of Vaporization: 59.03 kJ/mol; (19)Boiling Point: 317.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000158 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cc(nn1C)C(C)(C)C
2.InChI: InChI=1/C9H14N2O2/c1-9(2,3)7-5-6(8(12)13)11(4)10-7/h5H,1-4H3,(H,12,13)
3.InChIKey: SFSXXMXHJOSBAZ-UHFFFAOYAB

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