2-chloro-5-nitropyrimidine

The Benzaldehyde,4-bromo-3,5-dimethyl- is an organic compound with the formula C₉H₉BrO. With the CAS registry number 400822-47-1, the IUPAC name of this chemical is 4-bromo-3,5-dimethylbenzaldehyde.

Physical properties about Benzaldehyde,4-bromo-3,5-dimethyl- are: (1)ACD/LogP: 3.81; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 265; (5)ACD/BCF (pH 7.4): 265; (6)ACD/KOC (pH 5.5): 1890; (7)ACD/KOC (pH 7.4): 1890; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.587; (12)Molar Refractivity: 50.346 cm³; (13)Molar Volume: 149.834 cm³; (14)Polarizability: 19.959×10^-24cm³; (15)Surface Tension: 40.556 dyne/cm; (16)Density: 1.422 g/cm³; (17)Flash Point: 85.701 °C; (18)Enthalpy of Vaporization: 51.827 kJ/mol; (19)Boiling Point: 279.576 °C at 760 mmHg; (20)Vapour Pressure: 0.004 mmHg at 25°C.

Preparation: this chemical can be prepared by N,N-dimethyl-formamide and 2,5-dibromo-1,3-dimethyl-benzene. This reaction will need reagent nBuLi and solvent diethyl ether, hexane. The reaction time is 35 min with reaction temperature of -78 °C. The yield is about 79%.

Uses of Benzaldehyde,4-bromo-3,5-dimethyl-: it can be used to produce 4-bromo-3,5-dimethyl-benzaldehyde oxime and 4-bromo-3,5-dimethyl-benzonitrile by heating. It will need reagent hydroxylamine hydrochloride, pyridine and solvent toluene with reaction time of 2 hours. The yield is about 56%.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(C=O)cc(C)c1Br
(2)InChI: InChI=1/C9H9BrO/c1-6-3-8(5-11)4-7(2)9(6)10/h3-5H,1-2H3
(3)InChIKey: USONNBCBJMNJIU-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H9BrO/c1-6-3-8(5-11)4-7(2)9(6)10/h3-5H,1-2H3
(5)Std. InChIKey: USONNBCBJMNJIU-UHFFFAOYSA-N