5-Methoxy-4-(2-methoxyethoxy)-2-nitrobenzoic acid
Basic information
- CAS
879361-47-4- Standard SMILES
COCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1OC- InChIKey
IVXTUVDBRCQWGF-UHFFFAOYSA-N- Molecular formula
- C11H13NO7
- Average molar mass
- 271.22 g/mol
- Monoisotopic mass
- 271.06920175
Names & identifiers
- Preferred name
- 5-Methoxy-4-(2-methoxyethoxy)-2-nitrobenzoic acid
- IUPAC
- 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoic acid
- English name
- Benzoic acid, 5-methoxy-4-(2-methoxyethoxy)-2-nitro-
- Molecular formula
- C11H13NO7
- Molecular weight
- 271.22
Names & synonyms
5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoic acid879361-47-4RefChem:536696108-928-95-methoxy-4-(2-methoxyethoxy)-2-nitro-benzoic AcidEKB36147AKOS009092291CS-0242057EN300-24409G268155-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoicacidZ195225482
Show more names
Benzoic acid, 5-methoxy-4-(2-methoxyethoxy)-2-nitro-
Database identifiers
- CAS
879361-47-4- PubChem CID
- 9504023
- EC Number
- 108-928-9
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 453.7 · 453.7±45.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- pka
- 2.3 · 2.30±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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