Basic information
- CAS
10047-18-4- Standard SMILES
CC(=O)c1ccc2c3c(cccc13)CC2- InChIKey
SYGRLGANSVWJGM-UHFFFAOYSA-N- Molecular formula
- C14H12O
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.088815
Overview
1-(1,2-dihydroacenaphthylen-5-yl)ethanone is a member of naphthalenes.
Names & identifiers
- Preferred name
- 5-Acetylacenaphthene
- IUPAC
- 1-(1,2-dihydroacenaphthylen-5-yl)ethanone
- English name
- 5-ACETYL-1,2-DIHYDROACENAPHTHYLENE
- Molecular formula
- C14H12O
- Molecular weight
- 196.24
Names & synonyms
5-AcetylacenaphtheneKetone, 5-acenaphthenyl methylAcenaphthene, 5-acetyl-Ethanone, 1-(1,2-dihydro-5-acenaphthylenyl)-I7PK5DIE7J1-(1,2-Dihydro-5-acenaphthylenyl)ethanoneUNII-I7PK5DIE7JNSC 142100NSC-142100DTXSID60143306RefChem:101874DTXCID8065797
Show more names
Nsc1421001-ACENAPHTHEN-5-YL-ETHANONE5-Acetyl-1,2-dihydroacenaphtylene
Ketone, 5-acenaphthenyl methyl (8CI)Ethanone, 1-(1,2-dihydro-5-acenaphthylenyl)-(9CI)SYGRLGANSVWJGM-UHFFFAOYSA-N10047-18-41-(1,2-dihydroacenaphthylen-5-yl)ethanone1-(1,2-dihydroacenaphthylen-5-yl)ethan-1-one5-ACETYL-1,2-DIHYDROACENAPHTHYLENEMFCD00222371
Database identifiers
- CAS
10047-18-4- PubChem CID
- 97668
- DTXSID
DTXSID60143306- ChEMBL
CHEMBL1330637- ChEBI
CHEBI:105347- UNII
- I7PK5DIE7J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 143 °C · 143 °C
- Boiling point
- 216 · 216-220 °C(Press: 20 Torr)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- FDA UNII
- 7 PK5DIE7J · I7PK5DIE7J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
山东小野化学股份有限公司0539-6362799 20）
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Additional notes
DefinitionChEBI: 1-(1,2-dihydroacenaphthylen-5-yl)ethanone is a member of naphthalenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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