Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-
CAS Registry Number®
56651-59-3
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CAS Name
Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-Molecular Formula
C10H11NOMolecular Mass
161.20Cite this Page
Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=56651-59-3 (retrieved ) (CAS RN: 56651-59-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
115-117 °C @ Press: 9 TorrDensity (1)
1.0402 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C10H11NO/c1-8-3-4-10(6-11-7-12)9(2)5-8/h3-5H,6H2,1-2H3
InChIKey
InChIKey=ATLVTMVEYQOHCH-UHFFFAOYSA-N
SMILES
C(N=C=O)C1=C(C)C=C(C)C=C1
Canonical SMILES
O=C=NCC1=CC=C(C=C1C)C
Other Names for this Substance
- Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-
- Isocyanic acid, 2,4-dimethylbenzyl ester
- 2,4-Dimethylbenzyl isocyanate
- 1-(Isocyanatomethyl)-2,4-dimethylbenzene