3-Bromo-4-hydroxybenzaldehyde

Base Information

• Chemical Name: 3-Bromo-4-hydroxybenzaldehyde
• CAS No.: 2973-78-6
• Molecular Formula: C7H5BrO2
• Molecular Weight: 201.019
• Hs Code.: 29130000
• NSC Number: 220227
• DSSTox Substance ID: DTXSID30183890
• Nikkaji Number: J99.643B
• Wikidata: Q63395282
• Mol file: 2973-78-6.mol

Synonyms:3-Bromo-4-hydroxybenzaldehyde;2973-78-6;Benzaldehyde, 3-bromo-4-hydroxy-;3-Bromo-4-hydroxy-benzaldehyde;4-Hydroxy-3-bromobenzaldehyde;MFCD00017348;NSC220227;3-bromo-4-hydroxybenzaldehye;SCHEMBL190410;3-bromo-4-hydroxy benzaldehyde;4-hydroxy-3-bromo-benzaldehyde;DTXSID30183890;STR08374;CK2092;STK398334;3-Bromo-4-hydroxybenzaldehyde, 97%;AKOS000291220;AM62564;CS-W007483;NSC 220227;NSC-220227;PS-3499;AC-13248;SY040634;B2350;FT-0615161;EN300-07841;A820037;J-017617;Q63395282;Z56960236

Chemical Property of 3-Bromo-4-hydroxybenzaldehyde

Chemical Property:

• Appearance/Colour: colorless or light yellow crystal
• Vapor Pressure: 0.00718mmHg at 25°C
• Melting Point: 130-135 °C(lit.)
• Refractive Index: 1.657
• Boiling Point: 261.252 °C at 760 mmHg
• PKA: 6.24±0.18(Predicted)
• Flash Point: 111.802 °C
• PSA: 37.30000
• Density: 1.737 g/cm³
• LogP: 1.96720
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• Water Solubility.: Soluble in water 1.33 g/L.
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.94729
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-4-hydroxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)Br)O
• Uses: 3-Bromo-4-hydroxybenzaldehyde is an intermediate in organic syntheses, it is used to produce other chemicals like 5-Brom-4-hydroxy-b-nitrostyrol.

Technology Process of 3-Bromo-4-hydroxybenzaldehyde

There total 25 articles about 3-Bromo-4-hydroxybenzaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

C15H23BrO3 → 3-bromo-4-hydroxybenzylaldehyde (2973-78-6)

Guidance literature:

In water; at 85 ℃; for 4h;

Reference yield: 98.0%

C11H15BrO3 → 3-bromo-4-hydroxybenzylaldehyde (2973-78-6)

Guidance literature:

In water; at 80 ℃; for 4h;

Reference yield: 87.0%

2-bromo-4-(hydroxymethyl)phenol (29922-56-3) → 3-bromo-4-hydroxybenzylaldehyde (2973-78-6)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper diacetate; In water; acetonitrile; at 20 ℃; for 4h; Green chemistry;

DOI:10.1016/j.tetlet.2013.09.050

upstream raw materials:

formaldehyd

2-hydroxybromobenzene

chloroform

Bromoform

Downstream raw materials:

3,4-Dihydroxybenzoic acid

4-hydroxy-benzaldehyde

3,4-dihydroxybenzaldehyde

4-hydroxy-benzoic acid

Refernces

• 1、 Schmidt, Bernd,Riemer, Martin. "Synthesis of magnaldehydes B and e and dictyobiphenyl B by microwave-promoted cross-coupling of boronophenols". . p. 3760 - 3766. Retrieved 2015.
• 2、 -. "THERAPY". Page/Page column 25. . Retrieved 2021/04/02.
• 3、 -. "Herbicide based on haloxyfop, flumetsulam and halosulfuron-methyl". Paragraph 0038; 0045; 0053; 0060; 0068; 0075. . Retrieved 2021/06/21.