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| CAS No.: | 16634-88-1 |
|---|---|
| Name: | 5-BROMO-3-NITROSALICYLALDEHYDE 97 |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C7H4BrNO4 |
| Molecular Weight: | 246.017 |
| Synonyms: | Salicylaldehyde,5-bromo-3-nitro- (6CI,7CI,8CI);3-Nitro-5-bromosalicylaldehyde;5-Bromo-2-hydroxy-3-nitrobenzaldehyde;5-Bromo-3-nitro-2-hydroxybenzaldehyde;5-Bromo-3-nitrosalicylaldehyde; |
| EINECS: | 625-753-8 |
| Density: | 1.928 g/cm3 |
| Melting Point: | 125-127 °C |
| Boiling Point: | 265.8 °C at 760 mmHg |
| Flash Point: | 114.6 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 83.12000 |
| LogP: | 2.39860 |
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Specification
This chemical is called Benzaldehyde, 5-bromo-2-hydroxy-3-nitro-, and its systematic name is 5-bromo-2-hydroxy-3-nitrobenzaldehyde. With the molecular formula of C7H4BrNO4, its molecular weight is 246.01. The CAS registry number of this chemical is 16634-88-1. Additionally, its product categories are Aldehydes; C7 Organic Building Blocks; Carbonyl Compounds; Nitro Compounds; Nitrogen Compounds.
Other characteristics of the Benzaldehyde, 5-bromo-2-hydroxy-3-nitro- can be summarised as followings: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 7.22; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 61.64; (8)ACD/KOC (pH 7.4): 1.65; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 49.12 cm3; (15)Molar Volume: 127.5 cm3; (16)Polarizability: 19.47×10-24cm3; (17)Surface Tension: 73.3 dyne/cm; (18)Density: 1.928 g/cm3; (19)Flash Point: 114.6 °C; (20)Enthalpy of Vaporization: 52.41 kJ/mol; (21)Boiling Point: 265.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00546 mmHg at 25°C.
Uses of this chemical: The Benzaldehyde, 5-bromo-2-hydroxy-3-nitro- could react with 2-methyl-furan, and obtain the 2-[bis-(5-methyl-furan-2-yl)-methyl]-4-bromo-6-nitro-phenol. This reaction needs the reagent of 1N perchloric acid, acetic acid, and the solvent of benzene. The yield is 89 %. In addition, this reaction should be taken for 2 hours. The other condition is heating.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1c(O)c(cc(Br)c1)C=O
2.InChI: InChI=1/C7H4BrNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-3,11H
3.InChIKey: YEYPSUQQZNDKDE-UHFFFAOYAQ