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| CAS No.: | 71295-21-1 |
|---|---|
| Name: | 5-BROMO-2 3-DIMETHOXYBENZALDEHYDE 97 |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C9H9BrO3 |
| Molecular Weight: | 245.073 |
| Synonyms: | 2,3-Dimethoxy-5-bromobenzaldehyde;5-Bromo-2,3-dimethoxybenzaldehyde;NSC 279839;5-bromo-2,3-dimethoxybenzaldehyde;benzaldehyde, 5-bromo-2,3-dimethoxy-; |
| Density: | 1.482 g/cm3 |
| Melting Point: | 81-84 °C(lit.) |
| Boiling Point: | 312.7 °C at 760 mmHg |
| Flash Point: | 142.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 35.53000 |
| LogP: | 2.27880 |
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- Total:11 Page 1 of 1 1
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Specification
The Benzaldehyde,5-bromo-2,3-dimethoxy-, with the CAS registry number 71295-21-1, has the systematic name and IUPAC name of 5-bromo-2,3-dimethoxybenzaldehyde. It belongs to the following product categories: Aldehydes; C9; Carbonyl Compounds. And the molecular formula of the chemical is C9H9BrO3.
The characteristics of Benzaldehyde,5-bromo-2,3-dimethoxy- are as followings: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 54.05 cm3; (9)Molar Volume: 165.2 cm3; (10)Polarizability: 21.42×10-24cm3; (11)Surface Tension: 40.1 dyne/cm; (12)Density: 1.482 g/cm3; (13)Flash Point: 142.9 °C; (14)Enthalpy of Vaporization: 55.37 kJ/mol; (15)Boiling Point: 312.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00052 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(c(OC)c(OC)c1)C=O
(2)InChI: InChI=1/C9H9BrO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3
(3)InChIKey: RVMWFOFQRYTRHZ-UHFFFAOYAA