1-Bromo-4-isocyanato-2-methylbenzene

Base Information

• Chemical Name: 1-Bromo-4-isocyanato-2-methylbenzene
• CAS No.: 1591-97-5
• Molecular Formula: BrC6H3(CH3)NCO
• Molecular Weight: 212.04
• Hs Code.: 2929109000
• European Community (EC) Number: 623-700-3
• DSSTox Substance ID: DTXSID30409784
• Mol file: 1591-97-5.mol

Synonyms:1-bromo-4-isocyanato-2-methylbenzene;1591-97-5;4-Bromo-3-methylphenyl isocyanate;Benzene, 1-bromo-4-isocyanato-2-methyl-;4-BROMO-3-METHYLPHENYL ISOCYANATE 98;SCHEMBL423672;DTXSID30409784;MFCD01863700;AKOS000265745;4-Bromo-3-methylphenyl isocyanate, 98%;BS-35746;BB 0262501;FT-0679337;EN300-146934;J-009577;InChI=1/C8H6BrNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H

Chemical Property of 1-Bromo-4-isocyanato-2-methylbenzene

Chemical Property:

• Vapor Pressure: 0.0094mmHg at 25°C
• Refractive Index: n20/D 1.584(lit.)
• Boiling Point: 265 °C at 760 mmHg
• Flash Point: 114.1 °C
• PSA: 29.43000
• Density: 1.44 g/cm³
• LogP: 2.72480
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.96328
• Heavy Atom Count: 11
• Complexity: 177

Purity/Quality:

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

1-Bromo-4-isocyanato-2-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N=C=O)Br