Basic information
- Standard SMILES
COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
CVYZVNVPQRKDLW-UHFFFAOYSA-N- Molecular formula
- C7H6N2O5
- Average molar mass
- 198.13 g/mol
- Monoisotopic mass
- 198.02767129
Overview
2,4-dinitroanisole is a member of the class of dinitroanisoles that is 2-nitroanisole in which the hydrogen para to the methoxy group is replaced by a second nitro group. It has a role as an explosive.
Names & identifiers
- Preferred name
- 2,4-Dinitroanisole
- IUPAC
- 1-methoxy-2,4-dinitrobenzene
- English name
- 1-Methoxy-2,4-dinitrobenzene
- Molecular formula
- C7H6N2O5
- Molecular weight
- 198.13
Names & synonyms
2,4-DINITROANISOLE1-Methoxy-2,4-dinitrobenzene119-27-7Dinitroanisole2,4-Dinitrophenyl methyl etherBenzene, 1-methoxy-2,4-dinitro-2,4-Dinitrophenylmethyl etherDTXSID9041366NSC-87331L0OD70295DTXCID7021366CHEBI:84559
Show more names
-Dinitroanisole2,4-dimitroanisole2,4-dinitro-anisolalpha-Dinitroanisole2,4-Dinitroanisole99%
NSC8733RefChem:82565204-310-92,4-Dinitroanisol1-Methoxy-2,4-dinitro-benzeneAnisole, 2,4-dinitro-NSC 87332,4-Nitroanisole
Database identifiers
- CAS
119-27-7- PubChem CID
- 8385
- DTXSID
DTXSID9041366- ChEMBL
CHEMBL167820- ChEBI
CHEBI:84559- UNII
- 1L0OD70295
- EC Number
- 204-310-9
- Nikkaji
- J2.914I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.61
Vapor Pressure0.000138 [mmHg]
Physical Description
Other Solid
Tan powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 94 · 94-96 °C(lit.)
- Boiling point
- 207 °C/12mm · 207°C/12mm
- Density
- 1.34 g/mL · 1.34 g/mL at 25 °C(lit.)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- refractive index
- 1.546 · 1.5460 (estimate)
- Flash point
- 207 °C/12mm · 207°C/12mm
- Water Solubility
- 155 mg/L · Solubility in hot methanol; almost transparency. Water solubility, 155 mg/L 15°C. Completely soluble in ethyl acetate & acetone.
- BRN
- 1881474 · 1881474
- LogP
- 1.58 at · 1.58 at 25℃
- CAS DataBase Reference
- 119 · 119-27-7(CAS DataBase Reference)
- FDA UNII
- 1 L0OD70295 · 1L0OD70295
- NIST Chemistry Reference
- 1 · Benzene, 1-methoxy-2,4-dinitro-(119-27-7)
- EPA Substance Registry System
- 2 · 2,4-Dinitroanisole (119-27-7)
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310a-P321-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-40-22
- Safety Statements
- 7 · 7/8-22-36/37/39
- WGK Germany
- 3 · 3
- RTECS
- 5250000 · DA5250000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- Toxicity
- 100 mg/kg · rat,LDLo,oral,100mg/kg (100mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953.
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (67.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Benzene, 1-methoxy-2,4-dinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-methoxy-2,4-dinitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/27582
Hazards SummaryMay cause irritation; May induce methemoglobinemia; Harmful by ingestion; [Sigma-Aldrich MSDS] See p-Nitroanisole.
Hazard Classes and CategoriesAcute Tox. 4 (67.1%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DA5250000
- Toxicity
- rat,LDLo,oral,100mg/kg (100mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953.
- risk_code
- 20/21/22-40-22
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 7/8-22-36/37/39
- hazard_class
- 6.1
- Hazard statements
- H301
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P310a-P321-P405-P501a
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesEnergy Releasers (explosives, motive propellant)
General Manufacturing Information
Explosives Manufacturing
Benzene, 1-methoxy-2,4-dinitro-: ACTIVE
Applications
UsesIt can be used as a dye ingredient. It is one of the insensitive nitroaromatic ingredients increasingly used as a replacement for 2,4,6-trinitrotoluene (TNT) in munitions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers3 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海先臣化工有限公司+86-021-64606569 +86-18049800532 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of dinitroanisoles that is 2-nitroanisole in which the hydrogen para to the methoxy group is replaced by a second nitro group.
Related reactions
12 records
Linked notes
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