CAS No.6948-30-7,5-BROMOVERATRALDEHYDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6948-30-7
Name:	5-BROMOVERATRALDEHYDE
Article Data:	62

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
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	35.53000
LogP:	2.27880

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- China (Mainland)(32)
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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 C₉H₉BrO₃and 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