2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-
Basic information
- CAS
4693-01-0- Standard SMILES
Cn1c(=O)oc(=O)c2cc([N+](=O)[O-])ccc21- InChIKey
CUIMZCXFMNKTEE-UHFFFAOYSA-N- Molecular formula
- C9H6N2O5
- Average molar mass
- 222.15 g/mol
- Monoisotopic mass
- 222.0276713
Names & identifiers
- Preferred name
- 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-
- IUPAC
- 1-methyl-6-nitro-3,1-benzoxazine-2,4-dione
- English name
- 1-methyl-6-nitro-2H-3,1-benzoxazine-2,4(1H)-dione
- Molecular formula
- C9H6N2O5
- Molecular weight
- 222.15
Names & synonyms
1-Methyl-6-nitro-2H-3,1-benzoxazine-2,4(1H)-dione2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-5-Nitro-N-methylisatoic anhydrideEINECS 225-150-6DTXSID2063557RefChem:90100DTXCID3040518225-150-64693-01-01-methyl-6-nitro-3,1-benzoxazine-2,4-dione1-methyl-6-nitro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione1-methyl-6-nitro-1H-benzo[d][1,3]oxazine-2,4-dione
Show more names
1M-6|||1M 6|||1-Methyl-6-nitroisatoic anhydride
1M6MFCD00129950orb1698872SCHEMBL10342776SCHEMBL29811344AKOS012410945AKOS040749900AT35552
Database identifiers
- CAS
4693-01-0- PubChem CID
- 78414
- DTXSID
DTXSID2063557- EC Number
- 225-150-6
- Nikkaji
- J297.890C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 188 °C · >188 °C (decomp)
- Boiling point
- 392.4 · 392.4±44.0 °C(Predicted)
- Density
- 1.551 · 1.551±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- Solid
- pka
- -6.72 · -6.72±0.20(Predicted)
- color
- Light yellow to yellow
- EPA Substance Registry System
- 2 H-3,1-Benzoxazine-2,4 · 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro- (4693-01-0)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P310-P305+P351+P338
- TSCA
- TSCA listed
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
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P301+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-: INACTIVE
Applications
UsesN-Methyl-5-nitroisatoic Anhydride is a useful research chemical used as a reactant in the preparation of pyrazolo[5,1-b]quinazolin-9-ones as antiallergic agents.
Related reactions
1 records
Compound notes
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