Vitas-M small molecule compound

2-isocyanato-1,4-dimethylbenzene

Catalog ID
STK504577
SMILES Cc1ccc(cc1N=C=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C9H9NO MW 147.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9NO/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3
InChIKey
SOXVXJQIQVOCAY-UHFFFAOYSA-N
Synonyms
40397-98-6
1ISOCYANATO25DIMETHYLBENZENE
25DIMETHYLBENZENISOCYANATE
25DIMETHYLPHENYLISOCYANATE
2isocyanato14dimethylbenzene
40397986
BENZENE2ISOCYANATO14DIMETHYL
CC1=CC(=C(C=C1)C)N=C=O
InChI=1SC9H9NOc17348(2)9(57)10611h35H12H3
MFCD00013854
ZINC000001555808
ZINC01555808
ZINC1555808

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.