Products Categories
| CAS No.: | 137577-00-5 |
|---|---|
| Name: | 2-BROMO-1-(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-1-ETHANONE |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H11BrN2O |
| Molecular Weight: | 279.136 |
| Synonyms: | 4-(Bromoacetyl)-5-methyl-1-phenyl-1H-pyrazole; |
| Density: | 1.44 g/cm3 |
| Melting Point: | 94-96 °C |
| Boiling Point: | 373.1 °C at 760 mmHg |
| Flash Point: | 179.5 °C |
| Hazard Symbols: |
 C,  Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 34.89000 |
| LogP: | 2.75830 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- Total:16 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Ethanone, 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-, with the CAS registry number 137577-00-5, is also known as 4-(Bromoacetyl)-5-methyl-1-phenyl-1H-pyrazole. This chemical's molecular formula is C12H11BrN2O and molecular weight is 279.13. What's more, its IUPAC name is 2-Bromo-1-(5-methyl-1-phenylpyrazol-4-yl)ethanone.
Physical properties about Ethanone, 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 50.83; (6)ACD/BCF (pH 7.4): 50.83; (7)ACD/KOC (pH 5.5): 579.24; (8)ACD/KOC (pH 7.4): 579.24; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 67.98 cm3; (15)Molar Volume: 193.2 cm3; (16)Polarizability: 26.95×10-24 cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 179.5 °C; (20)Enthalpy of Vaporization: 62.04 kJ/mold; (21)Boiling Point: 373.1 °C at 760 mmHg; (22)Vapour Pressure: 9.16E-06 mmHg at 25 °C.
Preparation of Ethanone, 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-: this chemical is prepared by reaction of 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)-ethanone with Bromine, 48 percent HBr, Glacial acetic acid at ambient temperature. This reaction needs reagents Bromine, 48 percent HBr and Glacial acetic acid. Meanwhile, it needs solvent CHCl3. The reaction time is 15 minutes. The yield is about 80 %.
-.jpg)
Uses of Ethanone, 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-: it is used to produce other chemicals. For example, it is used to produce Methyl 4-[4-(1-phenyl-5-methylpyrazolyl)]-2-thiazolylacetate hydrobromide by heating. The reaction needs reagent 3-Thio-malonamic acid methyl ester and solvent Acetone. The reaction time is 3 hours. The yield is about 69 %.
![Ethanone, 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)- can be used to produce Methyl 4-[4-(1-phenyl-5-methylpyrazolyl)]-2-thiazolylacetate hydrobromide.](/UserFilesUpload/Uses of Ethanone, 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-.jpg)
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. What's more, this chemical may destroy living tissue. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCC(=O)c2cnn(c1ccccc1)c2C
(2) InChI: InChI=1/C12H11BrN2O/c1-9-11(12(16)7-13)8-14-15(9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
(3) InChIKey: VYGXRQSIPNGJNK-UHFFFAOYAW