4-Bromo-2-chloro-6-methylphenyl isocyanate

Base Information

• Chemical Name: 4-Bromo-2-chloro-6-methylphenyl isocyanate
• CAS No.: 77159-77-4
• Molecular Formula: C₈H₅BrClNO
• Molecular Weight: 246.491
• European Community (EC) Number: 804-658-7
• DSSTox Substance ID: DTXSID20377802
• Mol file: 77159-77-4.mol

Synonyms:4-Bromo-2-chloro-6-methylphenyl isocyanate;77159-77-4;5-bromo-1-chloro-2-isocyanato-3-methylbenzene;MFCD07368970;SCHEMBL17027567;DTXSID20377802;GEO-00407;AKOS005254416;4-bromo-2-chloro-6-methylphenylisocyanate;W-200502;4-Bromo-2-chloro-6-methylphenyl isocyanate, 97% (GC)

Chemical Property of 4-Bromo-2-chloro-6-methylphenyl isocyanate

Chemical Property:

• Melting Point: 75-80°C
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.92430
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-chloro-6-methylphenyl isocyanate 97% (GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N=C=O)Cl)Br

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