Basic information
- Standard SMILES
Cc1cc(C)c([N+](=O)[O-])c(C)c1- InChIKey
SCEKDQTVGHRSNS-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
Names & identifiers
- Preferred name
- 2-Nitromesitylene
- IUPAC
- 1,3,5-trimethyl-2-nitrobenzene
- English name
- Benzene, 1,3,5-trimethyl-2-nitro-, radical ion(1+) (9CI)
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
2-Nitromesitylene1,3,5-Trimethyl-2-nitrobenzeneNitromesityleneBenzene, 1,3,5-trimethyl-2-nitro-EINECS 210-054-9AI3-08879DTXSID8060533SCEKDQTVGHRSNS-UHFFFAOYSA-RefChem:88730DTXCID0042791210-054-9InChI=1/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
Show more names
Benzene, 1,3,5-trimethyl-2-nitro-, radical ion(1-) (9CI)
SCEKDQTVGHRSNS-UHFFFAOYSA-N603-71-4Mesitylene, 2-nitro-Mononitromesitylene2,4,6-Trimethylnitrobenzene1,3,5-trimethyl-2-nitro-benzene2,4,6-Trimethyl-1-nitrobenzeneMFCD00007170
Database identifiers
- CAS
82795-90-2- UNII
- AKZ2NK5ME7
- EC Number
- 210-054-9
- Nikkaji
- J38.257D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (93.2%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3,5-trimethyl-2-nitro-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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