Basic information
- CAS
18801-63-3- Standard SMILES
Cc1c(C)c(C)c([N+](=O)[O-])c([N+](=O)[O-])c1C- InChIKey
OVFWWDRGWIAOIT-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- 1,2,3,4-Tetramethyl-5,6-dinitro-benzene
- IUPAC
- 1,2,3,4-tetramethyl-5,6-dinitrobenzene
- English name
- 1,2,3,4-Tetramethyl-5,6-dinitrobenzene
- Molecular formula
- C10H12N2O4
- Molecular weight
- 224.21
Names & synonyms
1,2,3,4-TETRAMETHYL-5,6-DINITRO-BENZENERefChem:410621622-403-61,2,3,4-tetramethyl-5,6-dinitrobenzene18801-63-3Benzene,1,2,3,4-tetramethyl-5,6-dinitro-NSC174103o-dinitrotetramethylbenzeneSCHEMBL6512240SCHEMBL29674859DTXSID10306106SBB055508
Show more names
1,2-DINITRO-3,4,5,6-TETRAMETHYLBENZENEBenzene, 1,2,3,4-tetramethyl-5,6-dinitro-
AKOS024319098NSC-1741031,2,3,4-Tetramethyl-5,6-dinitrobenzol1,2,3,6-tetramethyl-4,5-dinitrobenzene
Database identifiers
- CAS
18801-63-3- PubChem CID
- 300042
- DTXSID
DTXSID10306106- EC Number
- 622-403-6
- Nikkaji
- J730.353J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 176 °C · 176 °C
- Boiling point
- 132 · 132-134 °C(Press: 0.1 Torr)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers9 total
北京奥龙飞科技有限公司—
Ryan Scientific, Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MATRIX[email protected]
APOLLO-NMR[email protected]
ATLANTIC-RES[email protected]
MOLEKULA[email protected]
Service Chemical Inc.[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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