Basic information
- CAS
781-17-9- Standard SMILES
c1cc2c3c(c1)CCc1cccc(c1-3)CC2- InChIKey
XDFUNRTWHPWCKO-UHFFFAOYSA-N- Molecular formula
- C16H14
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.10955045
Names & identifiers
- Preferred name
- Pyrene, 4,5,9,10-tetrahydro-
- IUPAC
- 4,5,9,10-tetrahydropyrene
- English name
- 4,5,9,10-TETRAHYDROPYRENE
- Molecular formula
- C16H14
- Molecular weight
- 206.28
Names & synonyms
4,5,9,10-Tetrahydropyrene781-17-9Pyrene, 4,5,9,10-tetrahydro-DTXSID10228733RefChem:177479DTXCID60151224InChI=1/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10HXDFUNRTWHPWCKO-UHFFFAOYSA-NMFCD00267195SCHEMBL149965SCHEMBL1569374SCHEMBL4825934
Show more names
4,5,9,10-Tetrahydropyrene in toluene4,5,9,10-TETRAHYDROPYRENE,80.0+%(GC)4,5,9,10-Tetrahydropyrene (purified by sublimation)
SCHEMBL293886794,5,9,10-Tetrahydropyrene #AKOS015840885AS-58505DA-16713SY053198T72941F224612
Database identifiers
- CAS
781-17-9- PubChem CID
- 69906
- DTXSID
DTXSID10228733- Nikkaji
- J147.575D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 138 to · 138.0 to 142.0 °C
- Boiling point
- 383 °C · 383°C(lit.)
- Density
- 1.0426 · 1.0426 (estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 781 · 781-17-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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
- hs_code
- 2902.90.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers45 total
上海利卡斯实业有限公司19821976800 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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