Basic information
- CAS
15138-43-9- Standard SMILES
Cc1cc(C)c(C#[N+][O-])c(C)c1C#[N+][O-]- InChIKey
YZHOPEMIKZYPJE-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide
- IUPAC
- 2,4,6-trimethylbenzene-1,3-dicarbonitrile oxide
- English name
- 2,4,6-Trimethyl-1,3-benzenedicarbonitrile oxide
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
15138-43-9ISOPHTHALONITRILE, 2,4,6-TRIMETHYL-, N,N'-DIOXIDEDTXSID40164771RefChem:1087662DTXCID20872622,4,6-trimethylbenzene-1,3-dicarbonitrile oxideNSC 93008BRN 30960142,4,6-Trimethylisophthalonitrile N,N'-dioxide2,4,6-Trimethyl-1,3-benzenedicarbonitrile oxideNSC930081,3-Benzenedicarbonitrile, 2,4,6-trimethyl-, N,N'-dioxide
Show more names
1,3-Benzenedicarbonitrile, 2,4,6-trimethyl-, N1,N3-dioxide
NSC-930081, 2,4,6-trimethyl-, N,N'-dioxide2,6-Trimethylisophthalonitrile N,N'-dioxideIsophthalonitrile,4,6-trimethyl-, N,N'-dioxide2,4,6-Trimethylbenzene-1,3-dicarbonitrile 1,3-dioxide
Database identifiers
- CAS
15138-43-9- PubChem CID
- 27064
- DTXSID
DTXSID40164771- EC Number
- 691-841-8
- Nikkaji
- J354.410I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311-H319-H301-H330
- Precautionary statements
- 260 · P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H311-H319-H301-H330
- Precautionary statements
- P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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