2-(4-Tert-butylphenoxy)-5-nitrobenzaldehyde
Basic information
- CAS
175278-47-4- Standard SMILES
CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1- InChIKey
YOWJMFSAQPDRJB-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- 2-(4-Tert-butylphenoxy)-5-nitrobenzaldehyde
- IUPAC
- 2-(4-tert-butylphenoxy)-5-nitrobenzaldehyde
- English name
- 2-[4-(tert-Butyl)phenoxy]-5-nitrobenzaldehyde
- Molecular formula
- C17H17NO4
- Molecular weight
- 299.32
Names & synonyms
175278-47-42-[4-(tert-Butyl)phenoxy]-5-nitrobenzaldehyde2-(4-tert-butylphenoxy)-5-nitrobenzaldehyde2-(4-(tert-Butyl)phenoxy)-5-nitrobenzaldehydeMFCD00084918Benzaldehyde,2-[4-(1,1-dimethylethyl)phenoxy]-5-nitro-SCHEMBL6536062DTXSID60384292SBB052134AKOS015908598AS-9096DB-044211
Show more names
2-[4-(1,1-Dimethylethyl)phenoxy]-5-nitrobenzaldehydeBenzaldehyde, 2-[4-(1,1-dimethylethyl)phenoxy]-5-nitro-
CS-03285032-(4-tert-butylphenoxy)-5-nitro-benzaldehyde
Database identifiers
- CAS
175278-47-4- PubChem CID
- 2801627
- DTXSID
DTXSID60384292
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 134 · 134-136°C
- Boiling point
- 395.8 · 395.8±37.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2913000090 · 2913000090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2913000090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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