Picene
Picene structure
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Common Name | Picene | ||
|---|---|---|---|---|
| CAS Number | 213-46-7 | Molecular Weight | 278.347 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 519.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C22H14 | Melting Point | 366-367° | |
| MSDS | Chinese USA | Flash Point | 264.5±15.1 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | picene |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 519.0±0.0 °C at 760 mmHg |
| Melting Point | 366-367° |
| Molecular Formula | C22H14 |
| Molecular Weight | 278.347 |
| Flash Point | 264.5±15.1 °C |
| Exact Mass | 278.109558 |
| LogP | 7.14 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.812 |
| InChIKey | GBROPGWFBFCKAG-UHFFFAOYSA-N |
| SMILES | c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21 |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| RIDADR | UN 2811 |
|---|---|
| RTECS | TJ3700000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2901299090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 3 | |
CAS#:15374-45-5
CAS#:856833-56-2
CAS#:855614-89-0
CAS#:855614-88-9
CAS#:699018-25-2
CAS#:860549-64-0
CAS#:90-12-0
CAS#:861018-88-4
CAS#:24743-25-7
CAS#:24743-18-8
CAS#:88-99-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2901299090 |
|---|---|
| Summary | 2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Comparative carcinogenicity of picene and dibenz[a,h]anthracene in the rat.
Biochem. Biophys. Res. Commun. 290(1) , 275-9, (2002) Early carcinogenicity tests found no evidence of activity for picene but found considerable initiating and carcinogenic activity for dibenz[a,h]anthracene (DBA). More recent investigation suggested th... |
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Tracer-based source apportionment of polycyclic aromatic hydrocarbons in PM2.5 in Guangzhou, southern China, using positive matrix factorization (PMF).
Environ. Sci. Pollut. Res. Int. 20(4) , 2398-409, (2013) From 28 November to 23 December 2009, 24-h PM2.5 samples were collected simultaneously at six sites in Guangzhou. Concentrations of 18 polycyclic aromatic hydrocarbons (PAHs) together with certain mol... |
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Phonon dynamics and electron-phonon coupling in pristine picene.
Phys. Chem. Chem. Phys. 14(5) , 1694-9, (2012) The paper reports a complete analysis of the phonon structure of crystalline picene, a recently announced organic semiconductor. Both lattice and intramolecular vibrations are investigated. An exhaust... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| β,β-Binaphthyleneethene |
| MFCD00215857 |
| 1,2:7,8-dibenzophenanthrene |
| EINECS 205-918-7 |
| benzochrysene |
| 3,4-Benzchrysene |
| Dibenzo[a, i]phenanthrene |
| b,b-Binaphthyleneethene |
| Picene |
| Dibenzo[a,i]phenanthrene |
| 1,2,7,8-Dibenzphenanthrene |
| Pycene |
| Benzo[a]chrysene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of picene? |
| A: Molecular formula of picene is C22H14. |
| Q: What are the storage conditions for picene? |
| A: Storage conditions for picene: 2-8°C. |
| Q: What is the molecular weight of picene? |
| A: Molecular weight of picene is 278.347. |
| Q: What are the upstream materials of picene? |
| A: Related upstream materials(CAS) of picene: 15374-45-5;856833-56-2;855614-89-0;855614-88-9;699018-25-2;860549-64-0;90-12-0;861018-88-4. |
| Q: What is the English name of picene? |
| A: The English name of picene is picene. |
| Q: What is the CAS number of picene? |
| A: CAS number of picene is 213-46-7. |
| Q: What is the SMILES notation of picene? |
| A: SMILES notation of picene is c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21. |
| Q: What is the InChIKey of picene? |
| A: InChIKey of picene is GBROPGWFBFCKAG-UHFFFAOYSA-N. |
| Q: What are the downstream products of picene? |
| A: Related downstream products(CAS) of picene: 24743-25-7;24743-18-8;88-99-3. |
| Q: What is the boiling point of picene? |
| A: Boiling point of picene is 519.0±0.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |