2,5-Dimethylphenyl isocyanate

2-isocyanato-1,4-dimethylbenzene

CAS: 40397-98-6

Molecular Formula	`C9H9NO`
Molecular Weight	147.06842 g/mol
LogP	2.27
Topological Polar Surface Area	29.43 Å²
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	147.06842
Heavy Atoms	11
Complexity	311.3

Chemical Identifiers

CAS Number	40397-98-6
SMILES	`CC1=CC(=C(C=C1)C)N=C=O`

Product Overview

2,5-Dimethylphenyl isocyanate (CAS 40397-98-6), with molecular formula C9H9NO and molecular weight 147.06842 g/mol. IUPAC: 2-isocyanato-1,4-dimethylbenzene.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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