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| CAS No.: | 6948-30-7 |
|---|---|
| Name: | 5-BROMOVERATRALDEHYDE |
| Molecular Structure: | |
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| Formula: | C9H9BrO3 |
| Molecular Weight: | 245.073 |
| Synonyms: | Veratraldehyde,5-bromo- (6CI,8CI);3,4-Dimethoxy-5-bromobenzaldehyde;3-Bromo-4,5-dimethoxybenzaldehyde;5-Bromo-3,4-dimethoxybenzaldehyde;5-Bromoveratraldehyde;NSC 55757; |
| EINECS: | 230-113-2 |
| Density: | 1.482 g/cm3 |
| Melting Point: | 63-64 °C(lit.) |
| Boiling Point: | 313.8 °C at 760 mmHg |
| Flash Point: | 143.6 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 35.53000 |
| LogP: | 2.27880 |
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- Total:30 Page 1 of 1 1
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Specification
The CAS register number of 3-Bromo-4,5-dimethoxybenzaldehyde is 6948-30-7. It also can be called as Benzaldehyde,3-bromo-4,5-dimethoxy- and the IUPAC name about this chemical is 3-bromo-4,5-dimethoxybenzaldehyde. The molecular formula about this chemical is C9H9BrO3 and the molecular weight is 245.07. It belongs to the Aromatic Aldehydes & Derivatives (substituted).
Physical properties about 3-Bromo-4,5-dimethoxybenzaldehyde are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 2.41; (4)ACD/BCF (pH 5.5): 39.64; (5)ACD/BCF (pH 7.4): 39.64; (6)ACD/KOC (pH 5.5): 484.81; (7)ACD/KOC (pH 7.4): 484.81; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53Å2; (11)Index of Refraction: 1.567; (12)Molar Refractivity: 54.05 cm3; (13)Molar Volume: 165.2 cm3; (14)Polarizability: 21.42x10-24cm3; (15)Surface Tension: 40.1 dyne/cm; (16)Enthalpy of Vaporization: 55.49 kJ/mol; (17)Boiling Point: 313.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000485 mmHg at 25°C.
Preparation: this chemical can be prepared by sulfuric acid dimethyl ester and 3-bromo-4-hydroxy-5-methoxy-benzaldehyde. This reaction will need reagent alkali.
Uses of 3-Bromo-4,5-dimethoxybenzaldehyde: it can be used to produce 2,3-dibromo-4,5-dimethoxy-benzaldehyde. This reaction will need reagent bromine.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable 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: Brc1cc(cc(OC)c1OC)C=O
(2)InChI: InChI=1/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3
(3)InChIKey: ICVODPFGWCUVJC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3
(5)Std. InChIKey: ICVODPFGWCUVJC-UHFFFAOYSA-N