2-Isopropyl-4-nitrophenol
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Basic information
- CAS
60515-72-2- Standard SMILES
CC(C)c1cc([N+](=O)[O-])ccc1O- InChIKey
YVSKFUMSIJTGTO-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 2-Isopropyl-4-nitrophenol
- IUPAC
- 4-nitro-2-propan-2-ylphenol
- English name
- 2-Isopropyl-4-nitrophenol
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
2-Isopropyl-4-nitrophenol60515-72-2DTXSID00336073RefChem:262344DTXCID502871624-nitro-2-propan-2-ylphenolMFCD09749960Phenol, 2-(1-methylethyl)-4-nitroPhenol, 2-(1-methylethyl)-4-nitro-2-isopropyl-4-nitro phenol2-isopropyl-4-nitro-phenolSCHEMBL1647499
Show more names
4-nitro-2-isopropylphenol
4-nitro-2-(propan-2-yl)phenolAKOS006326471DS-6332SY282945DB-072805CS-0099436O10811F240526
Database identifiers
- CAS
60515-72-2- PubChem CID
- 528954
- DTXSID
DTXSID00336073
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Boiling point
- 294.3 · 294.3±33.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 7.62 · 7.62±0.22(Predicted)
- Appearance
- Brown to black Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
9 records
Compound notes
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