2,5,6-Trimethylbenzoselenazole
Basic information
- CAS
2946-20-5- Standard SMILES
Cc1nc2cc(C)c(C)cc2[se]1- InChIKey
LCZZKJPVZHCFMK-UHFFFAOYSA-N- Molecular formula
- C10H11NSe
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 225.00567
Names & identifiers
- Preferred name
- 2,5,6-Trimethylbenzoselenazole
- IUPAC
- 2,5,6-trimethyl-1,3-benzoselenazole
- English name
- 2,5,6-Trimethylbenzoselenazole
- Molecular formula
- C10H11NSe
- Molecular weight
- 224.16
Names & synonyms
2,5,6-Trimethylbenzoselenazole2946-20-5EINECS 220-958-5DTXSID40183664RefChem:82661DTXCID80106155220-958-52,5,6-trimethyl-1,3-benzoselenazole2,5,6-Trimethylbenzo[d][1,3]selenazoleSCHEMBL10354581LCZZKJPVZHCFMK-UHFFFAOYSA-NMFCD00047143
Show more names
2,5,6-TrimethylbenzoseleneazoleBenzoselenazole, 2,5,6-trimethyl-2,5,6-Trimethylbenzoselenazole,98%2,5,6-TRIMETHYLBENZOSELENAZOLE 98%
NS00082862
Database identifiers
- CAS
2946-20-5- PubChem CID
- 76275
- DTXSID
DTXSID40183664- EC Number
- 220-958-5
- Nikkaji
- J38.308B
Properties
Computed structural properties
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 86 · 86-90 °C
- Boiling point
- 140 · 140-142 °C (5 mmHg)
- form
- solid
- pka
- 5.99 · 5.99±0.50(Predicted)
- Hazard Codes
- N-T
- Risk Statements
- 50 · 50/53-33-23/25
- Safety Statements
- 61 · 61-60-45-28A-20/21
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 50/53-33-23/25
- hazard_code
- N-T
- safety_code
- 61-60-45-28A-20/21
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…