Phenanthrene-9-carbaldehyde

HCID 78437CAS 4707-71-5

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Basic information

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 Å²
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: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
F: 10 · 10
HS Code: 29122900 · 29122900
Storage Class: 11 · 11 - Combustible Solids