Phenanthrene-9-carbaldehyde
Basic information
- CAS
4707-71-5- Standard SMILES
O=Cc1cc2ccccc2c2ccccc12- InChIKey
QECIGCMPORCORE-UHFFFAOYSA-N- Molecular formula
- C15H10O
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.07316494
Names & identifiers
- Preferred name
- Phenanthrene-9-carbaldehyde
- IUPAC
- phenanthrene-9-carbaldehyde
- English name
- Phenanthrene-9-carboxaldehyde
- Molecular formula
- C15H10O
- Molecular weight
- 206.24
Names & synonyms
Phenanthrene-9-carbaldehyde9-PhenanthrenecarboxaldehydePhenanthrene-9-carboxaldehyde9-Formylphenanthrene9-Phenanthrenecarbaldehyde9-PhenanthraldehydePhenanthrene-9-aldehydeNSC 19329-PhenanthrenaldehydeEINECS 225-194-6GSJ300GB2NDTXSID40197024
Show more names
9-PHENANTHRENEALDEHYDE9-PhenanthrenecarboxaLphenthrene-9-carbaldehyde
NSC-1932UNII-GSJ300GB2N9-PHENANTHRIDINECARBOXALDEHYDERefChem:172608DTXCID50119515225-194-6QECIGCMPORCORE-UHFFFAOYSA-N4707-71-5
Database identifiers
- CAS
4707-71-5- PubChem CID
- 78437
- DTXSID
DTXSID40197024- ChEMBL
CHEMBL4446157- UNII
- GSJ300GB2N
- EC Number
- 225-194-6
- Nikkaji
- J80.883K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 100 · 100-103 °C (lit.)
- Boiling point
- 160 · 160-170 °C(Press: 1 Torr)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Soluble in acetone, dichloromethane, methanol.
- form
- Powder
- color
- Pale yellow
- Sensitive
- Air Sensitive
- BRN
- 511309 · 511309
- InChI
- 1S/C15H10O/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-10H
- InChIKey
- QECIGCMPORCORE-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1cc2ccccc2c3ccccc13
- CAS DataBase Reference
- 4707 · 4707-71-5(CAS DataBase Reference)
- FDA UNII
- 300 GB2N · GSJ300GB2N
- UNSPSC Code
- 12352100 · 12352100
- NACRES
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
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29122900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesPhenanthrene-9-carboxaldehyde is used to make fluorescent probes.
UsesPhenanthrene-9-carboxaldehyde is a phenanthrene derivative used to make fluorescent probes.
Related reactions
11 records
Compound notes
Loading…