Basic information
- CAS
203-80-5- Standard SMILES
C1=Cc2cccc3cccc(c23)C1- InChIKey
XDJOIMJURHQYDW-UHFFFAOYSA-N- Molecular formula
- C13H10
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.07825032
Overview
Phenalene is an ortho- and peri-fused polycyclic arene and an ortho- and peri-fused tricyclic hydrocarbon.
Names & identifiers
- Preferred name
- Phenalene
- IUPAC
- 1H-phenalene
- English name
- phenalene
- Molecular formula
- C13H10
- Molecular weight
- 166.22
Names & synonyms
Phenalene1H-PHENALENE1H-BenzonaphtheneDQ27KZF2V71-BENZONAPHTHENEEINECS 205-907-7DTXSID5075369CHEBI:33082RefChem:172585DTXCID1036256XDJOIMJURHQYDW-UHFFFAOYSA-N203-80-5
Show more names
BenzonaphthenePerinaphthindeneperi-benznaphthalene
PerinaphthenePeri-NaphthindeneUNII-DQ27KZF2V7SCHEMBL7712SCHEMBL127785SCHEMBL129422SCHEMBL129655SCHEMBL130137
Database identifiers
- CAS
203-80-5- PubChem CID
- 9149
- DTXSID
DTXSID5075369- ChEBI
CHEBI:33082- UNII
- DQ27KZF2V7
- EC Number
- 205-907-7
- Nikkaji
- J6.132H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 159 · 159-160 °C(Solv: ethanol (64-17-5))
- Boiling point
- 70 °C · 70 °C(Press: 0.01 Torr)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C13H10/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-8H,9H2
- InChIKey
- XDJOIMJURHQYDW-UHFFFAOYSA-N
- SMILES
- C1C2C3C(C=CC=2)=CC=CC=3C=C1
- FDA UNII
- 27 KZF2V7 · DQ27KZF2V7
- EPA Substance Registry System
- 1 H-Phenalene · 1H-Phenalene (203-80-5)
Chemistry & industry
Suppliers20 total
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
淄博航宇生物科技发展有限公司13053322091 13053322091 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Shenyang Zhongshen Zekang Biomedical Technology Research Co., Ltd+86-18341751992 +86-15382112998 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
河南利恩化工产品有限公司
Related reactions
1 records
Compound notes
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