4-Methoxy-3,5-dinitrotoluene
Basic information
- CAS
29455-11-6- Standard SMILES
COc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]- InChIKey
HVNUPXQONRHUOX-UHFFFAOYSA-N- Molecular formula
- C8H8N2O5
- Average molar mass
- 212.16 g/mol
- Monoisotopic mass
- 212.04332136
Names & identifiers
- Preferred name
- 4-Methoxy-3,5-dinitrotoluene
- IUPAC
- 2-methoxy-5-methyl-1,3-dinitrobenzene
- English name
- 4-METHOXY-3,5-DINITROTOLUENE
- Molecular formula
- C8H8N2O5
- Molecular weight
- 212.16
Names & synonyms
4-Methoxy-3,5-dinitrotolueneRefChem:524568677-533-629455-11-62,6-Dinitro-4-methylanisole2-Methoxy-5-methyl-1,3-dinitrobenzeneBenzene, 2-methoxy-5-methyl-1,3-dinitro-MFCD001920971-Methoxy-4-methyl-2,6-dinitrobenzeneNSC89790NCIOpen2_0062814-Methyl-2,6-dinitroanisole
Show more names
4-Methoxy-3,5-dinitrotoluene>2 6-DINITRO-4-METHYLANISOLE 99%2,6-DINITRO-4-METHYLANISOLE (BULK)4-Methyl-2,6-dinitroanisole 1-Methoxy-4-methyl-2,6-dinitrobenzene
SCHEMBL4653538DTXSID80293473NSC-89790AKOS0254027212-methoxy-5-methyl-1,3-dinitro-benzeneAS-47926SY1061152-Methoxy-5-methyl-1,3-dinitrobenzene #
Database identifiers
- CAS
29455-11-6- PubChem CID
- 259649
- DTXSID
DTXSID80293473- EC Number
- 677-533-6
- Nikkaji
- J2.295.124F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Boiling point
- 368.9 · 368.9±37.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- Light yellow to Yellow to Green
- CAS DataBase Reference
- 29455 · 29455-11-6
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 228 · H228-H319-H335-H301+H311+H331-H315
- Precautionary statements
- 210 · P210-P301+P310-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2930 · UN 2930 6.1/4.1/PG II
- Hazard Note
- Irritant
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
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P370+P378, 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 CategoriesFlam. Sol. 2 (100%)
Safety data
- ridadr
- UN 2930 6.1/4.1/PG II
- hs_code
- 2909309090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 6.1/4.1
- packing_group
- II
- Hazard statements
- H228-H319-H335-H301+H311+H331-H315
- Precautionary statements
- P210-P301+P310-P280
Suppliers
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Related reactions
3 records
Compound notes
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