3-Methylcholanthrene
3-Methylcholanthrene structure
|
Common Name | 3-Methylcholanthrene | ||
|---|---|---|---|---|
| CAS Number | 56-49-5 | Molecular Weight | 268.352 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 506.4±30.0 °C at 760 mmHg | |
| Molecular Formula | C21H16 | Melting Point | 178-180ºC | |
| MSDS | Chinese USA | Flash Point | 253.2±18.7 °C | |
| Symbol |
GHS08 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-methylcholanthrene |
|---|---|
| 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 | 506.4±30.0 °C at 760 mmHg |
| Melting Point | 178-180ºC |
| Molecular Formula | C21H16 |
| Molecular Weight | 268.352 |
| Flash Point | 253.2±18.7 °C |
| Exact Mass | 268.125214 |
| LogP | 7.11 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.781 |
| InChIKey | PPQNQXQZIWHJRB-UHFFFAOYSA-N |
| SMILES | Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3 |
| Storage condition | 2-8°C |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H350-H413 |
| Precautionary Statements | P201-P308 + P313 |
| Personal Protective Equipment | Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | T,Xn,F |
| Risk Phrases | R45 |
| Safety Phrases | 53-36/37/39-45-36-26-16-36/37 |
| RIDADR | UN 2811 |
| WGK Germany | 3 |
| RTECS | FZ3675000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2902909090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 6 | |
![3-methyl-1,2,2a,3,4,5-hexahydro-benz[j]aceanthrylene Structure](https://image.chemsrc.com/caspic/252/100260-10-4.png)
CAS#:100260-10-4
CAS#:2458-08-4![3-methyl-2a,3,4,5-tetrahydro-2H-benz[j]aceanthrylen-1-one Structure](https://image.chemsrc.com/caspic/221/855173-92-1.png)
CAS#:855173-92-1
CAS#:668-84-8
CAS#:855293-72-0
CAS#:63665-87-2
CAS#:15085-20-8
CAS#:102549-05-3
CAS#:5676-40-4![1,2,11,12-Tetrahydro-3-methylbenz[j]aceanthrylene structure](https://image.chemsrc.com/caspic/082/25486-92-4.png)
CAS#:25486-92-4
CAS#:3343-07-5![Cyclopenta[ij]benz[a]anthracene,9-methyl structure](https://image.chemsrc.com/caspic/400/3343-10-0.png)
CAS#:3343-10-0
CAS#:7319-59-7
CAS#:3342-98-1
CAS#:63041-50-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2902909090 |
|---|---|
| Summary | 2902909090 other aromatic 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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Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
J. Sci. Ind. Res. 65(10) , 808, (2006) Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ... |
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Developing structure-activity relationships for the prediction of hepatotoxicity.
Chem. Res. Toxicol. 23 , 1215-22, (2010) Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ... |
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HepG2 cells as an in vitro model for evaluation of cytochrome P450 induction by xenobiotics.
Arch. Pharm. Res. 38 , 691-704, (2015) Although various in vitro assays have been developed to evaluate the cytochrome P450 (CYP)-inducing potential of drug candidates, there is a continuing need for the development of a reliable model in ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00003704 |
| 3-Methylcholanthrene |
| EINECS 200-276-4 |
| 3-Methyl-1,2-dihydrocyclopenta[ij]tetraphene |
| 3-methyl-1,2-dihydrobenzo[j]aceanthrylene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 3-methylcholanthrene have? |
| A: English synonyms of 3-methylcholanthrene: MFCD00003704, 3-Methylcholanthrene, EINECS 200-276-4, 3-Methyl-1,2-dihydrocyclopenta[ij]tetraphene, 3-methyl-1,2-dihydrobenzo[j]aceanthrylene. |
| Q: What is the LogP of 3-methylcholanthrene? |
| A: LogP of 3-methylcholanthrene is 7.11. |
| Q: What is the molecular weight of 3-methylcholanthrene? |
| A: Molecular weight of 3-methylcholanthrene is 268.352. |
| Q: What are the upstream materials of 3-methylcholanthrene? |
| A: Related upstream materials(CAS) of 3-methylcholanthrene: 100260-10-4;2458-08-4;855173-92-1;668-84-8;855293-72-0;63665-87-2;15085-20-8;102549-05-3;5676-40-4. |
| Q: What is the melting point of 3-methylcholanthrene? |
| A: Melting point of 3-methylcholanthrene is 178-180ºC. |
| Q: What is the English name of 3-methylcholanthrene? |
| A: The English name of 3-methylcholanthrene is 3-methylcholanthrene. |
| Q: What are the storage conditions for 3-methylcholanthrene? |
| A: Storage conditions for 3-methylcholanthrene: 2-8°C. |
| Q: What is the InChIKey of 3-methylcholanthrene? |
| A: InChIKey of 3-methylcholanthrene is PPQNQXQZIWHJRB-UHFFFAOYSA-N. |
| Q: What are the downstream products of 3-methylcholanthrene? |
| A: Related downstream products(CAS) of 3-methylcholanthrene: 25486-92-4;3343-07-5;3343-10-0;7319-59-7;3342-98-1;63041-50-9. |
| Q: What is the SMILES notation of 3-methylcholanthrene? |
| A: SMILES notation of 3-methylcholanthrene is Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3. |
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. |