Products Categories
| CAS No.: | 83612-48-0 |
|---|---|
| Name: | 1H-Pyrazole, 1-(bromoacetyl)-3,5-dimethyl- (9CI) |
| Molecular Structure: | |
|
|
|
| Formula: | C7H9BrN2O |
| Molecular Weight: | 217.065 |
| Synonyms: | 1H-Pyrazole,1-(bromoacetyl)-3,5-dimethyl- (9CI);1-(Bromoacetyl)-3,5-dimethylpyrazole;2-bromo-1-(3,5-dimethylpyrazol-1-yl)ethanone;ethanone, 2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)-; |
| Density: | 1.54 g/cm3 |
| Boiling Point: | 290.2 °C at 760 mmHg |
| Flash Point: | 129.3 °C |
| PSA: | 34.89000 |
| LogP: | 1.53500 |
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- Total:5 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Ethanone,2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)-, with the CAS registry number 83612-48-0, has the systematic name of 2-bromo-1-(3,5-dimethylpyrazol-1-yl)ethanone. It belongs to the product category of Acetylhalide. And the molecular formula of the chemical is C7H9BrN2O.
The characteristics of Ethanone,2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)- are as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15 ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 34.89 Å2; (9)Index of Refraction: 1.589; (10)Molar Refractivity: 47.3 cm3; (11)Molar Volume: 140.2 cm3; (12)Polarizability: 18.75×10-24cm3; (13)Surface Tension: 42.4 dyne/cm; (14)Density: 1.54 g/cm3; (15)Flash Point: 129.3 °C; (16)Enthalpy of Vaporization: 52.95 kJ/mol; (17)Boiling Point: 290.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00211 mmHg at 25°C.
Preparation of Ethanone,2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)-: This chemical can be prepared by 3,5-dimethyl-1H-pyrazole and bromoacetyl bromide. The reaction will need reagent Et3N, and the menstruum CH2Cl2. And the yield is about 87%.
Uses of Ethanone,2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)-: It can react with phosphorous acid triethyl ester to produce diethyl[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]phosphonate. The reaction time is 2 hours, and the yield is about 90%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc(n(n1)C(=O)CBr)C
(2)InChI: InChI=1/C7H9BrN2O/c1-5-3-6(2)10(9-5)7(11)4-8/h3H,4H2,1-2H3
(3)InChIKey: IUWPRQGEQIIFCG-UHFFFAOYAA