Basic information
- CAS
13298-50-5- Standard SMILES
CC(=O)CC(=O)c1ccc2ccccc2c1- InChIKey
NFJOLQJZODADPL-UHFFFAOYSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.08372962
Names & identifiers
- Preferred name
- 1-(Naphthalen-2-yl)butane-1,3-dione
- IUPAC
- 1-naphthalen-2-ylbutane-1,3-dione
- English name
- 1-naphthalen-2-ylbutane-1,3-dione
- Molecular formula
- C14H12O2
- Molecular weight
- 212.24
Names & synonyms
13298-50-51-(naphthalen-2-yl)butane-1,3-dione1-naphthalen-2-ylbutane-1,3-dione1-(2-Naphthalenyl)-1,3-butanedione1-Methyl-3-(2-naphthyl)propane-1,3-dione1-(2-naphthyl)butane-1,3-dioneNSC44993beta-naphthoylacetone1,3-Butanedione,1-(2-naphthalenyl)-SCHEMBL2774094DTXSID30286350NSC 44993
Show more names
NSC-44993STL325362AKOS0010135361,3-Butanedione, 1-(2-naphthalenyl)-H62029F570539SR-01000028922SR-01000028922-1
Database identifiers
- CAS
13298-50-5- PubChem CID
- 239654
- DTXSID
DTXSID30286350- Nikkaji
- J1.711.052G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- 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
Suppliers8 total
吉林中科研伸科技有限公司18143011203 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
南京阿斯法姆医药科技有限公司02558867862; 18751812725 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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