1,3-Cyclopentanedicarboxylic anhydride

HCID 239799

Notes Reactions

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Basic information

CAS: 6054-16-6
Standard SMILES: O=C1OC(=O)C2CCC1C2
InChIKey: HVHURIINGLSKBG-UHFFFAOYSA-N
Molecular formula: C7H8O3
Average molar mass: 140.14 g/mol
Monoisotopic mass: 140.04734412

Names & identifiers

Preferred name: 1,3-Cyclopentanedicarboxylic anhydride
IUPAC: 3-oxabicyclo[3.2.1]octane-2,4-dione
English name: NSC45401
Molecular formula: C7H8O3
Molecular weight: 140.14

Names & synonyms

1,3-cyclopentanedicarboxylic anhydrideRefChem:414187668-150-53-oxabicyclo[3.2.1]octane-2,4-dione6054-16-6cis-1,3-Cyclopentanedicarboxylic anhydrideMFCD00077242NSC45401Norcamphoric anhydrideNSC-45401SCHEMBL2709834DTXSID90286396

Show more names

AKOS0032710103-OXABICYCLO(3.2.1)OCTANE-2,4-DIONE76VYY8CD56AKOS0168434041,3-Cyclopentane dicarboxylic anhydride3-oxabicyclo[3.2.1]octan-2,4-dionecyclopentane-1,3-dicarboxylic anhydrideDB-072809

Database identifiers

CAS: 6054-16-6
PubChem CID: 239799
DTXSID: DTXSID90286396
UNII: 76VYY8CD56
EC Number: 668-150-5
Nikkaji: J2.863.098K

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 177

Physicochemical properties

Melting point: 161 °C · 161 °C
Boiling point: 289.2 · 289.2±9.0 °C(Predicted)
Density: 1.309 · 1.309
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.