Basic information
- CAS
548-39-0- Standard SMILES
O=C1C=Cc2cccc3cccc1c23- InChIKey
WWBGWPHHLRSTFI-UHFFFAOYSA-N- Molecular formula
- C13H8O
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.05751487
Overview
fossil fuel combustion product
Names & identifiers
- Preferred name
- Phenalenone
- IUPAC
- phenalen-1-one
- English name
- Perinaphthenone
- Molecular formula
- C13H8O
- Molecular weight
- 180.2
Names & synonyms
Phenalen-1-onePERINAPHTHENONE1H-Phenalen-1-one548-39-0Phenalenone7-PerinaphthenoneEVU6EX9G8HDTXSID20203278NSC-150161CCRIS-4923RefChem:860518DTXCID20125769
Show more names
PerinaphthanonePerinaphthenone,97%
208-945-2PhenalonePerinaphthenon1H-BENZONAPHTHEN-1-ONEMFCD000041431-phenalenoneperi-Naphthindoneperi-Naphthindenone
Database identifiers
- CAS
548-39-0- PubChem CID
- 11050
- DTXSID
DTXSID20203278- ChEMBL
CHEMBL227511- UNII
- EVU6EX9G8H
- EC Number
- 208-945-2
- Nikkaji
- J81.950F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Collision Cross Section
134.59 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
133 Ų [M+H]+
Physicochemical properties
- Melting point
- 153 · 153-156 °C (lit.)
- Boiling point
- 273.02 °C · 273.02°C (rough estimate)
- Density
- 1.265 · 1.265
- refractive index
- 1.5975 · 1.5975 (estimate)
- storage temp.
- Store at room temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- powder
- color
- Brown
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C13H8O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8H
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
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- SF6122500
- hs_code
- 2914390090
- Toxicity
- msc-hmn-lym 5400 mg/L MUREAV 371,123,1996
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1H-Phenalen-1-one is used in method of enhancing the antimicrobial action of systemically administered antibiotics.
Suppliers51 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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