Methyl 3-isocyanato-2-methylbenzoate

Base Information

• Chemical Name: Methyl 3-isocyanato-2-methylbenzoate
• CAS No.: 480439-28-9
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.18336
• Hs Code.: 2929109000
• European Community (EC) Number: 623-396-2
• DSSTox Substance ID: DTXSID90392421
• Mol file: 480439-28-9.mol

Synonyms:Methyl 3-isocyanato-2-methylbenzoate;480439-28-9;SCHEMBL3125776;DTXSID90392421;MATKDXXVIXCUAX-UHFFFAOYSA-N;Methyl 3-isocyanato-2-methylbenzoate, 97%;FT-0736574;METHYL 3-ISOCYANATO-2-METHYLBENZOATE&;3-isocyanato-2-methyl-benzoic acid methyl ester

Chemical Property of Methyl 3-isocyanato-2-methylbenzoate

Chemical Property:

• Melting Point: 29-33 °C(lit.)
• Flash Point: 210 °F
• PSA: 55.73000
• LogP: 1.74890
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Methyl 3-isocyanato-2-methylbenzoate 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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