1,4-Benzenedicarbonitrile, 2,3,5,6-tetramethyl-, N1,N4-dioxide
Basic information
- CAS
2904-60-1- Standard SMILES
Cc1c(C)c(=C=[N+]=O)c(C)c(C)c1=C=N[O-]- InChIKey
RPJCZVIYUCJOSA-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 1,4-Benzenedicarbonitrile, 2,3,5,6-tetramethyl-, N1,N4-dioxide
- IUPAC
- oxo-[[2,3,5,6-tetramethyl-4-(oxidoiminomethylidene)cyclohexa-2,5-dien-1-ylidene]methylidene]azanium
Names & synonyms
2904-60-11,4-Benzenedicarbonitrile, 2,3,5,6-tetramethyl-, N,N'-dioxideDTXSID4062694EINECS 220-804-7NSC 87614Terephthalonitrile, tetramethyl-, N,N'-dioxide1,4-Benzenedicarbonitrile, 2,3,5,6-tetramethyl-, N1,N4-dioxideRefChem:73054DTXCID8037910Terephthalonitrile, tetramethyl-, N,N'-dioxide (8CI)Tetramethylterephthalonitrile N,N'-dioxideNCIOpen2_005244
Show more names
SCHEMBL2437162Terephthalonitrile, N,N'-dioxideRPJCZVIYUCJOSA-UHFFFAOYSA-NNSC87614NSC-87614AKOS003243927NS000286072,3,5,6-Tetramethylbenzene-1,4-dicarbonitrile 1,4-dioxide
Database identifiers
- CAS
2904-60-1- PubChem CID
- 76184
- DTXSID
DTXSID4062694- EC Number
- 220-804-7
- Nikkaji
- J306.829C
Properties
Computed structural properties
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 468
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedicarbonitrile, 2,3,5,6-tetramethyl-, N1,N4-dioxide: INACTIVE
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Compound notes
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