Basic information
- CAS
17589-24-1- Standard SMILES
O=C=Nc1ccc(Cc2ccc(N3C(=O)N(c4ccc(Cc5ccc(N=C=O)cc5)cc4)C3=O)cc2)cc1- InChIKey
ARRNPOPZVLSDGB-UHFFFAOYSA-N- Molecular formula
- C30H20N4O4
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.14845513
Names & identifiers
- Preferred name
- 1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione
- IUPAC
- 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-1,3-diazetidine-2,4-dione
- English name
- 2,4-dioxo-1,3-diazetidine-1,3-diylbis[p-phenylenemethylene-p-phenylene] diisocyanate
- Molecular formula
- C30H20N4O4
- Molecular weight
- 500.5
Names & synonyms
17589-24-11,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-EINECS 241-559-21,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione64LS3M957X1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-1,3-diazetidine-2,4-dioneDTXSID80662161,3-Diazetidine-2,4-dione, 1,3-bis(4-((4-isocyanatophenyl)methyl)phenyl)-2,4-Dioxo-1,3-diazetidine-1,3-diylbis(p-phenylenemethylene-p-phenylene) diisocyanate2,4-dioxo-1,3-diazetidine-1,3-diylbis[p-phenylenemethylene-p-phenylene] diisocyanate1,3-Bis{4-[(4-isocyanatophenyl)methyl]phenyl}-1,3-diazetidine-2,4-dioneRefChem:413981
Show more names
1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dion e
DTXCID4035590241-559-2ARRNPOPZVLSDGB-UHFFFAOYSA-NUNII-64LS3M957XSCHEMBL1850172DB-267509NS000197861,3-bis(4-(4-isocyanatobenzyl)phenyl)-1,3-diazetidine-2,4-dione
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 834
Physicochemical properties
- FDA UNII
- 64 LS3M957X · 64LS3M957X
- EPA Substance Registry System
- 1 · 1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]- (17589-24-1)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 351 · H351-H315-H317-H334-H373-H332-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P261-P285-P304+P341-P342+P311-P501-P260-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 191 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H315: Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information
Chemical: 1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-
1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4- isocyanatophenyl)methyl]phenyl]-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-: Environment tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute toxicity - category 2
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H351-H315-H317-H334-H373-H332-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-: ACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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