Fluorene-2-carboxaldehyde

HCID 34804

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Basic information

CAS: 30084-90-3
Standard SMILES: O=Cc1ccc2c(c1)Cc1ccccc1-2
InChIKey: MNQGEQSXFDKAPY-UHFFFAOYSA-N
Molecular formula: C14H10O
Average molar mass: 194.23 g/mol
Monoisotopic mass: 194.07316494

Overview

structure in first source

Names & identifiers

Preferred name: Fluorene-2-carboxaldehyde
IUPAC: 9H-fluorene-2-carbaldehyde
English name: 2-FLUORENECARBOXALDEHYDE
Molecular formula: C14H10O
Molecular weight: 194.23

Names & synonyms

30084-90-32-FluorenecarboxaldehydeFLUORENE-2-CARBOXALDEHYDE9H-Fluorene-2-carboxaldehyde1QDR3MEU7ZDTXSID10184168RefChem:108249DTXCID20106659250-035-29H-Fluorene-2-carbaldehydeFluorene-2-carbaldehyde2-Formylfluorene

Show more names

2-Formyl-9H-fluorene9H-Fluorene-7-carbaldehyde2-Fluorenecarboxaldehyde>9H-Fluorene-2-carboxaldehyde2-Fluorenecarboxaldehyde,99%

MFCD00001123EINECS 250-035-2BRN 22558522-fluorenecarboaldehydeUNII-1QDR3MEU7Z4-07-00-01656 (Beilstein Handbook Reference)2-FluorencBCP33158

Database identifiers

CAS: 30084-90-3
PubChem CID: 34804
DTXSID: DTXSID10184168
ChEMBL: CHEMBL4474679
UNII: 1QDR3MEU7Z
EC Number: 250-035-2
Nikkaji: J69.712E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 248

Experimental & physicochemical properties

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

Physical DescriptionSlightly yellow powder; [Acros Organics MSDS]

Physicochemical properties

Melting point: 83 · 83-85 °C(lit.)
Boiling point: 290.68 °C · 290.68°C (rough estimate)
Density: 1.055 · 1.0550 (rough estimate)
refractive index: 1.592 · 1.5920 (estimate)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
color: White to Orange to Green
Sensitive: Air & Light Sensitive
BRN: 2255852 · 2255852
InChI: 1S/C14H10O/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2
InChIKey: MNQGEQSXFDKAPY-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc-2c(Cc3ccccc-23)c1
CAS DataBase Reference: 30084 · 30084-90-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 1 QDR3MEU7Z · 1QDR3MEU7Z
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-P280-P301+P312-P302+P352-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
RTECS: 5917000 · LL5917000
F: 9 · 9-23
HS Code: 29122990 · 29122990
Storage Class: 11 · 11 - Combustible Solids