7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
57672-33-0- Standard SMILES
O=C(O)c1cc2c(cc1[N+](=O)[O-])OCCO2- InChIKey
QBFGQHROZQJASA-UHFFFAOYSA-N- Molecular formula
- C9H7NO6
- Average molar mass
- 225.15 g/mol
- Monoisotopic mass
- 225.02733694
Names & identifiers
- Preferred name
- 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
- IUPAC
- 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
- English name
- 7-NITRO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXYLIC ACID
- Molecular formula
- C9H7NO6
- Molecular weight
- 225.15
Names & synonyms
57672-33-07-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acidDTXSID50387939RefChem:546904DTXCID50338961993-681-77-Nitro-1,4-benzodioxane-6-carboxylic Acid7-Nitro-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylic acidMFCD011169887-Nitro-2,3-dihydrobenzo-[b][1,4]dioxine-6-carboxylic acidOprea1_279422
Show more names
2,3-dihydro-7-nitro-1,4-Benzodioxin-6-carboxylic acid1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-7-nitro-
STK739578AKOS000646194CS-W002750DS-0803SY014097DB-072356ST45074974ST50004342
Database identifiers
- CAS
57672-33-0- PubChem CID
- 2946591
- DTXSID
DTXSID50387939- EC Number
- 993-681-7
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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