1,4-Dimethylnaphthalene
1,4-Dimethylnaphthalene structure
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Common Name | 1,4-Dimethylnaphthalene | ||
|---|---|---|---|---|
| CAS Number | 571-58-4 | Molecular Weight | 156.224 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 268.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C12H12 | Melting Point | −18 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 109.2±9.7 °C | |
Summary: 1,4-Dimethylnaphthalene (1,4-二甲基萘)，CAS number 571-58-4，molecular formula C12H12，molecular weight 156.224，density 1.0±0.1 g/cm3，melting point -18°C，boiling point 268.0±0.0°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,4-dimethylnaphthalene |
|---|---|
| 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 | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 268.0±0.0 °C at 760 mmHg |
| Melting Point | −18 °C(lit.) |
| Molecular Formula | C12H12 |
| Molecular Weight | 156.224 |
| Flash Point | 109.2±9.7 °C |
| Exact Mass | 156.093903 |
| LogP | 4.37 |
| Vapour Pressure | 0.0±0.2 mmHg at 25°C |
| Index of Refraction | 1.605 |
| InChIKey | APQSQLNWAIULLK-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C)c2ccccc12 |
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.
| Personal Protective Equipment | Eyeshields;Gloves |
|---|---|
| Safety Phrases | S23-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2902909090 |
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 9 | |
|---|---|
| DownStream 10 | |
CAS#:4705-93-5![1,2-bis-(4-methyl-[1]naphthyl)-ethane Structure](https://image.chemsrc.com/caspic/024/42409-86-9.png)
CAS#:42409-86-9
CAS#:5261-50-7
CAS#:83731-53-7
CAS#:35461-84-8
CAS#:97585-87-0
CAS#:18801-77-9
CAS#:118-92-3
CAS#:90-12-0
CAS#:605-70-9
CAS#:33738-48-6![acetic acid-(4-methyl-[1]naphthylmethyl ester) structure](https://image.chemsrc.com/caspic/038/49675-07-2.png)
CAS#:49675-07-2
CAS#:4488-40-8
CAS#:14108-89-5
CAS#:14108-88-4
CAS#:2717-33-1
CAS#:87-87-6
CAS#:112740-50-8This 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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QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
Eur. J. Med. Chem. 43 , 714-40, (2008) Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org... |
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Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.
J. Med. Chem. 48 , 3808-15, (2005) The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-ac... |
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Disposition and metabolism of 1,4-dimethylnaphthalene in rat.
Int. J. Occup. Med. Environ. Health 13(4) , 325-34, (2000) The distribution, excretion and metabolism of 1,4-dimethylnaphthalene following i.p. administration of a single dose of 28 mg/kg to rats, was investigated using radiotracer [3H] and gas chromatography... |
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.
| L66J B1 E1 |
| EINECS 209-335-9 |
| 2039842 |
| MFCD00004037 |
| 1,4-Dimethylnaphthalene |
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 1,4-dimethylnaphthalene? |
| A: Molecular formula of 1,4-dimethylnaphthalene is C12H12. |
| Q: What is the molecular weight of 1,4-dimethylnaphthalene? |
| A: Molecular weight of 1,4-dimethylnaphthalene is 156.224. |
| Q: What English synonyms does 1,4-dimethylnaphthalene have? |
| A: English synonyms of 1,4-dimethylnaphthalene: L66J B1 E1, EINECS 209-335-9, 2039842, MFCD00004037, 1,4-Dimethylnaphthalene. |
| Q: What is the InChIKey of 1,4-dimethylnaphthalene? |
| A: InChIKey of 1,4-dimethylnaphthalene is APQSQLNWAIULLK-UHFFFAOYSA-N. |
| Q: What are the downstream products of 1,4-dimethylnaphthalene? |
| A: Related downstream products(CAS) of 1,4-dimethylnaphthalene: 605-70-9;33738-48-6;49675-07-2;35461-84-8;4488-40-8;14108-89-5;14108-88-4;2717-33-1;87-87-6;112740-50-8. |
| Q: What is the CAS number of 1,4-dimethylnaphthalene? |
| A: CAS number of 1,4-dimethylnaphthalene is 571-58-4. |
| Q: What are the upstream materials of 1,4-dimethylnaphthalene? |
| A: Related upstream materials(CAS) of 1,4-dimethylnaphthalene: 4705-93-5;42409-86-9;5261-50-7;83731-53-7;35461-84-8;97585-87-0;18801-77-9;118-92-3;90-12-0. |
| Q: What is the safety information for 1,4-dimethylnaphthalene? |
| A: Safety information for 1,4-dimethylnaphthalene: S23-S24/25. |
| Q: What is the boiling point of 1,4-dimethylnaphthalene? |
| A: Boiling point of 1,4-dimethylnaphthalene is 268.0±0.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 1,4-dimethylnaphthalene? |
| A: SMILES notation of 1,4-dimethylnaphthalene is Cc1ccc(C)c2ccccc12. |
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. |