4-Methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]benzaldehyde
Basic information
- CAS
329222-84-6- Standard SMILES
COc1ccc(C=O)cc1COc1ccc(C)cc1[N+](=O)[O-]- InChIKey
ANVVHXVNYURAKK-UHFFFAOYSA-N- Molecular formula
- C16H15NO5
- Average molar mass
- 301.29 g/mol
- Monoisotopic mass
- 301.09502258
Names & identifiers
- Preferred name
- 4-Methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]benzaldehyde
- IUPAC
- 4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]benzaldehyde
- English name
- 4-Methoxy-3-(4-methyl-2-nitro-phenoxymethyl)-benzaldehyde
- Molecular formula
- C16H15NO5
- Molecular weight
- 301.29
Names & synonyms
329222-84-64-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]benzaldehyde4-Methoxy-3-((4-methyl-2-nitrophenoxy)methyl)benzaldehydeRefChem:2938324-Methoxy-3-(4-methyl-2-nitro-phenoxymethyl)-benzaldehyde4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]-benzaldehydeMFCD014598713-({2-nitro-4-methylphenoxy}methyl)-4-methoxybenzaldehydeOprea1_188876MLS000324763CHEMBL1464306DTXSID101195908
Show more names
AKOS B006378ZINC00035790ART-CHEM-BB B006378Benzaldehyde, 4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]-
HMS2319H16ALBB-001084BBL016178SBB001237STK348941AKOS000307733AKOS015921936SMR000159937
Database identifiers
- CAS
329222-84-6- PubChem CID
- 673671
- DTXSID
DTXSID101195908- ChEMBL
CHEMBL1464306- EC Number
- 159-474-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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