Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
bis(3-isocyanato-4-methylphenyl)-1,3-diazetidine-2,4-dione

Inventory

EC number:
247-953-0
EC name:
2,4-dioxo-1,3-diazetidine-1,3-bis(methyl-m-phenylene) diisocyanate
CAS number:
26747-90-0
CAS number:
26747-90-0
Synonyms
Names:
1,3-Diazetidine-2,4-dione, 1,3-bis(3-isocyanatomethylphenyl)-
Identifier:
other: Molecular formula
C18H12N4O4
Identifier:
other: SMILES notation
Cc1ccc(cc1N=C=O)N2C(=O)N(C2=O)c3ccc(C)c(c3)N=C=O
Identifier:
other: SMILES notation
Cc1ccc(cc1N=C=O)N=C=O
Identifier:
other: InChl
InChI=1/C18H12N4O4/c1-11-3-5-13(7-15(11)19-9-23)21-17(25)22(18(21)26)14-6-4-12(2)16(8-14)20-10-24/h3-8H,1-2H3
Identifier:
other: InChl
InChI=1S/C18H12N4O4/c1-11-3-5-13(7-15(11)19-9-23)21-17(25)22(18(21)26)14-6-4-12(2)16(8-14)20-10-24/h3-8H,1-2H3
1,3-bis(3-isocyanato-4-methylphenyl)-1,3-diazetidine-2,4-dione

Molecular and structural information

Molecular formula:
C18H12N4O4
Molecular weight:
348.312
SMILES notation:
C(=Nc1cc(N2C(=O)N(C2=O)c2cc(N=C=O)c(cc2)C)ccc1C)=O
InChl:
InChI=1S/C18H12N4O4/c1-11-3-5-13(7-15(11)19-9-23)21-17(25)22(18(21)26)14-6-4-12(2)16(8-14)20-10-24/h3-8H,1-2H3
Structural formula:
Chemical structure

Related substances