Basic information
- CAS
54963-84-7- Standard SMILES
O=C1CCC(=O)C2CC=CCC12- InChIKey
NMUVKWGLYGWFCC-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone
- IUPAC
- 2,3,4a,5,8,8a-hexahydronaphthalene-1,4-dione
- English name
- 2,3,4A,5,8,8A-HEXAHYDRO-(1,4)NAPHTHOQUINONE
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2,3,4a,5,8,8a-Hexahydro-(1,4)naphthoquinone2,3,4a,5,8,8a-hexahydro-1,4-naphthalenedioneRefChem:441749653-303-054963-84-72,3,4a,5,8,8a-Hexahydro-1,4-naphthoquinone2,3,4a,5,8,8a-hexahydronaphthalene-1,4-dioneNSC 1426901,4-Naphthalenedione, 2,3,4a,5,8,8a-hexahydro-NSC1426901,4-NAPHTHOQUINONE, 2,3,4a,5,8,8a-HEXAHYDRO-DTXSID90970309
Show more names
2,3,4a,5,8,8a-hexahydro-4-naphthoquinone
1, 2,3,4a,5,8,8a-hexahydro-AKOS006272455NSC-142690DB-364324
Database identifiers
- CAS
54963-84-7- PubChem CID
- 41258
- DTXSID
DTXSID90970309- EC Number
- 653-303-0
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H317-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H335-H317-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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