3,4,9,10-Perylenetetracarboxylic acid
Basic information
- CAS
81-32-3- Standard SMILES
O=C(O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=O)O)c1c25)c43- InChIKey
FVDOBFPYBSDRKH-UHFFFAOYSA-N- Molecular formula
- C24H12O8
- Average molar mass
- 428.3 g/mol
- Monoisotopic mass
- 428.05321734
Names & identifiers
- Preferred name
- 3,4,9,10-Perylenetetracarboxylic acid
- IUPAC
- perylene-3,4,9,10-tetracarboxylic acid
- English name
- perylene-3,4,9,10-tetracarboxylic acid
- Molecular formula
- C24H12O8
- Molecular weight
- 428.35
Names & synonyms
81-32-33,4,9,10-Perylenetetracarboxylic acidN4CM698BCZEINECS 201-343-0NSC 89768NSC-89768DTXSID6058841RefChem:90971DTXCID5048188201-343-0perylene-3,4,9,10-tetracarboxylic acid3,4,9,10-Perylenetetracarboxylicacid
Show more names
DK7691Perylene-3,4,9,10-tetracarboxylicacid,98%perylene-3,4,9,10-tetracarboxylic acid 81-32-3
Perylenetetracarboxylic acidMFCD00071725C24H12O8UNII-N4CM698BCZSCHEMBL30141orb3214681SCHEMBL30117300FVDOBFPYBSDRKH-UHFFFAOYSA-N
Database identifiers
- CAS
81-32-3- PubChem CID
- 66474
- DTXSID
DTXSID6058841- UNII
- N4CM698BCZ
- EC Number
- 201-343-0
- Nikkaji
- J192.586E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- Boiling point
- 912.4 · 912.4±60.0 °C(Predicted)
- Density
- 1.739 · 1.739±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.17 · 2.17±0.30(Predicted)
- Appearance
- Brown to red Solid
- FDA UNII
- 4 CM698BCZ · N4CM698BCZ
- EPA Substance Registry System
- 3 · 3,4,9,10-Perylenetetracarboxylic acid (81-32-3)
- 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
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3,4,9,10-Perylenetetracarboxylic acid: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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