Benzaldehyde,5-bromo-2-methoxy- (25016-01-7)

The 5-Bromo-2-anisaldehyde with cas registry number of 25016-01-7 has an appearance of light yellow crystalline powder. Its EINECS registry number is 246-564-3. This chemical has a systematic name which is called 5-bromo-2-methoxybenzaldehyde. Besides, its IUPAC name is called 5-bromo-2-methoxybenzaldehyde. This chemical belongs to the classes of Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds.

The Physical properties about this chemical are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 86.11; (6)ACD/BCF (pH 7.4): 86.11; (7)ACD/KOC (pH 5.5): 844.74; (8)ACD/KOC (pH 7.4): 844.74; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 47.37 cm³; (14)Molar Volume: 141.2 cm³ ; (15)Surface Tension: 41.9 dyne/cm; (16)Density: 1.522 g/cm³; (17)Flash Point: 128.7 °C; (18)Enthalpy of Vaporization: 52.84 kJ/mol; (19)Boiling Point: 289.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00224 mmHg at 25°C.

Preparation of 5-Bromo-2-anisaldehyde: this chemical can be made by 2-methoxy-benzaldehyde with reagents Br₂, acetic acid at ambient temperature. The reaction time is 20 hours with 58% yield.

Uses of 5-Bromo-2-anisaldehyde: It is used as a raw material of fine chemicals, pharmaceutical intermediate. Here is an example, it can be used to prepare 5-bromo-2-methoxy-N-methylbenzylamine with methylamine. This reaction needs reagents NaCNBH₃, HCl and Methanol solvent at Ambient temperature with reaction time of 48 hours. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
This chemical is sensitive to air. Avoid contact with skin and eyes when you are using it for it is irritating to eyes, respiratory system and skin.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(OC)cc1)C=O;
(2)InChI: InChI=1/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3;
(3)InChIKey: IJIBRSFAXRFPPN-UHFFFAOYAP