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CAS No.: | 50910-55-9 |
---|---|
Name: | 2-Amino-3,5-dibromobenzaldehyde |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C7H5Br2NO |
Molecular Weight: | 278.931 |
Synonyms: | Benzaldehyde, 2-amino-3,5-dibromo-;2-amino-3,5-dibromo benzaldehyde (ADBA);3,5-Dibromo-2-aminobenzaldehyde; |
EINECS: | 256-841-0 |
Density: | 2.054 g/cm3 |
Melting Point: | 136-139 °C |
Boiling Point: | 319.9 °C at 760 mmHg |
Flash Point: | 147.3 °C |
Appearance: | Yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38-36 |
Safety: | 37/39-26-36 |
PSA: | 43.09000 |
LogP: | 3.18750 |
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The IUPAC name of 2-Amino-3,5-dibromobenzaldehyde is 2-amino-3,5-dibromobenzaldehyde. With the CAS registry number 50910-55-9, it is also named as Benzaldehyde, 2-amino-3,5-dibromo-. The product's categories are Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; (intermediate of Ambroxol HCl); Ambroxol; Aldehydes; C7; Carbonyl Compounds. Besides, it is yellow crystalline powder, which should be stored in a tightly closed container in a cool and dry place. And you should ensure that the workplace has good ventilation or exhaust device.
The other characteristics of this product can be summarized as: (1)EINECS: 256-841-0; (2)H bond acceptors: 2; (3)H bond donors: 2; (4)Freely Rotating Bonds: 2; (5)Index of Refraction: 1.702; (6)Molar Refractivity: 52.62 cm3; (7)Molar Volume: 135.7 cm3; (8)Surface Tension: 60.8 dyne/cm; (9)Density: 2.054 g/cm3; (10)Flash Point: 147.3 °C; (11)Melting point: 136-139 °C; (12)Enthalpy of Vaporization: 56.16 kJ/mol; (13)Boiling Point: 319.9 °C at 760 mmHg; (14)Vapour Pressure: 0.000328 mmHg at 25 °C.
Preparation of 2-Amino-3,5-dibromobenzaldehyde: this chemical can be prepared by 2-Amino-benzaldehyde.
This reaction needs Bromine, KBr, Ethanol and H2O at ambient temperature. The reaction time is 1 hour. The yield is 80 %.
Uses of 2-Amino-3,5-dibromobenzaldehyde: this chemical is used as a drug intermediate of Ambroxol hydrochloride. In addition, it can react with Allyl-tributyl-stannane to get 1-(2-Amino-3,5-dibromo-phenyl)-but-3-en-1-ol.
This reaction needs PbI2, n-Bu4NBr and H2O at temperature of 60 °C for 16 hours. The yield is 92 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1cc(Br)cc(C=O)c1N
(2)InChI:InChI=1/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2; (3)InChIKey:RCPAZWISSAVDEA-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2
(5)Std. InChIKey:RCPAZWISSAVDEA-UHFFFAOYSA-N