Vitas-M small molecule compound

1-ethyl-3-isocyanatobenzene

Catalog ID
STK502538
SMILES O=C=Nc1cccc(c1)CC

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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/c1-2-8-4-3-5-9(6-8)10-7-11/h3-6H,2H2,1H3
InChIKey
DNFZCDLEGMEKMI-UHFFFAOYSA-N
Synonyms
23138-58-1
1ETHYL3ISOCYANATOBENZENE
23138581
3ETHYLBENZENISOCYANATE
3ETHYLPHENYLISOCYANATE
BENZENE1ETHYL3ISOCYANATO
CCC1=CC(=CC=C1)N=C=O
InChI=1SC9H9NOc1284359(68)10711h36H2H21H3
MFCD00013870
ZINC000002560443
ZINC02560443
ZINC2560443

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Available files

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