1,3-Phenylene diisocyanate
CAS Registry Number®
123-61-5
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CAS Name
1,3-Phenylene diisocyanateMolecular Formula
C8H4N2O2Molecular Mass
160.13Cite this Page
1,3-Phenylene diisocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=123-61-5 (retrieved ) (CAS RN: 123-61-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
102-104 °C @ Press: 8 TorrMelting Point (2)
51 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H
InChIKey
InChIKey=VGHSXKTVMPXHNG-UHFFFAOYSA-N
SMILES
N(=C=O)C1=CC(N=C=O)=CC=C1
Canonical SMILES
O=C=NC1=CC=CC(N=C=O)=C1
Other Names for this Substance
- Benzene, 1,3-diisocyanato-
- Isocyanic acid, m-phenylene ester
- 1,3-Diisocyanatobenzene
- Nacconate 400
- m-Phenylene isocyanate
