Basic information
- CAS
7044-91-9- Standard SMILES
O=Cc1c2ccccc2c(C=O)c2ccccc12- InChIKey
SBRUFOSORMQHES-UHFFFAOYSA-N- Molecular formula
- C16H10O2
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.06807956
Overview
Anthracene-9,10-dialdehyde is an acene-9,10-dialdehyde and an anthracenedialdehyde.
Names & identifiers
- Preferred name
- 9,10-Anthracenedicarboxaldehyde
- IUPAC
- anthracene-9,10-dicarbaldehyde
- English name
- 9,10-Anthracenedicarboxaldehyde
- Molecular formula
- C16H10O2
- Molecular weight
- 234.25
Names & synonyms
Anthracene-9,10-dicarbaldehyde7044-91-99,10-AnthracenedicarboxaldehydeEINECS 230-322-9NSC 529667DTXSID0064549RefChem:548505DTXCID6046688230-322-9Anthracene-9,10-dicarboxaldehyde9,10-Diformylanthraceneanthracene-9,10-dialdehyde
Show more names
AKOS AUF02026ANTHRACENE-9,10-DIC9,10-AnthracenedialdehydeAnthracen-9,10-dicarbaldehydAnthracene-9,10-biscarbaldehyde
MFCD00045386NSC-5296679,10-AnthracenedicarbaldehydeNSC529667CFX48CDY8VSCHEMBL986883SCHEMBL10996327SCHEMBL29588097
Database identifiers
- CAS
7044-91-9- PubChem CID
- 81500
- DTXSID
DTXSID0064549- ChEBI
CHEBI:51295- UNII
- CFX48CDY8V
- EC Number
- 230-322-9
- Nikkaji
- J227.349G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 244 · 244-245
- Boiling point
- 336.57 °C · 336.57°C (rough estimate)
- Density
- 1.148 · 1.1480 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- Light yellow to Brown
- λmax
- 430 nm · 430nm(Diphenyl ether)(lit.)
- FDA UNII
- 48 CDY8V · CFX48CDY8V
- EPA Substance Registry System
- 9 · 9,10-Anthracenedicarboxaldehyde (7044-91-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29122990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedicarboxaldehyde: INACTIVE
Applications
Uses9,10-Anthracenedicarbaldehyde is an aggregation-induced emission luminogens (AIEgens). Also, it is a reagent used in the preparation of porous imine-linked networks (PINs).
Upstream & downstream products
Upstream raw materials
Related reactions
8 records
Compound notes
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