4-Bromo-3-nitrothioanisole

Base Information

• Chemical Name: 4-Bromo-3-nitrothioanisole
• CAS No.: 10079-53-5
• Molecular Formula: C₇H₆BrNO₂S
• Molecular Weight: 248.1
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID301285264
• Mol file: 10079-53-5.mol

Synonyms:10079-53-5;4-BROMO-3-NITROTHIOANISOLE;(4-bromo-3-nitrophenyl)(methyl)sulfane;SCHEMBL9187475;DTXSID301285264;1-Bromo-4-(methylthio)-2-nitrobenzene;benzene,1-bromo-4-(methylthio)-2-nitro-

Chemical Property of 4-Bromo-3-nitrothioanisole

Chemical Property:

• Appearance/Colour: Light Yellow Powder
• Vapor Pressure: 0.00349mmHg at 25°C
• Melting Point: 32-34 °C(lit.)
• Refractive Index: 1.581
• Boiling Point: 153-154 °C13 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 55.05000
• Density: 1.64g/cm³
• LogP: 2.88910
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 246.93026
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC(=C(C=C1)Br)[N+](=O)[O-]

Technology Process of 4-Bromo-3-nitrothioanisole

There total 1 articles about 4-Bromo-3-nitrothioanisole 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:

→ 3-Nitro-4-brom-thioanisol (10079-53-5)

Guidance literature:

Brom-thioanisol, Dimethysulfat, HNO3 / H2SO4, Erhitzen des Reaktionsproduktes;