2-Methylnaphthalene structure
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Common Name | 2-Methylnaphthalene | ||
|---|---|---|---|---|
| CAS Number | 91-57-6 | Molecular Weight | 142.197 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 239.9±3.0 °C at 760 mmHg | |
| Molecular Formula | C11H10 | Melting Point | 34-36 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 97.8±0.0 °C | |
| Symbol |
GHS02, GHS06, GHS08 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-methylnaphthalene |
|---|---|
| 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 | 239.9±3.0 °C at 760 mmHg |
| Melting Point | 34-36 °C(lit.) |
| Molecular Formula | C11H10 |
| Molecular Weight | 142.197 |
| Flash Point | 97.8±0.0 °C |
| Exact Mass | 142.078247 |
| LogP | 3.91 |
| Vapour Pressure | 0.1±0.2 mmHg at 25°C |
| Index of Refraction | 1.617 |
| InChIKey | QIMMUPPBPVKWKM-UHFFFAOYSA-N |
| SMILES | Cc1ccc2ccccc2c1 |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Water Solubility | 0.00246 g/100 mL |
| Freezing Point | 34.5℃ |
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
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H301 + H311 + H331-H370 |
| Precautionary Statements | P210-P260-P280-P301 + P310-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful;N:Dangerousfortheenvironment; |
| Risk Phrases | R22;R51/53 |
| Safety Phrases | S26-S37/39-S61-S36/37-S24/25-S23-S53 |
| RIDADR | UN 3077 9/PG 3 |
| WGK Germany | 2 |
| RTECS | QJ9635000 |
| Packaging Group | III |
| Hazard Class | 9 |
| HS Code | 29029080 |
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 10 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 29029080 |
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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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Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
J. Med. Chem. 48 , 440-9, (2005) The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies o... |
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Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques
Eur. J. Med. Chem. 44 , 1941-51, (2009) A series of naphthalene and non-naphthalene derivatives ( n = 42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The an... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-METHYL NAPHTHALENE |
| beta-Methylnaphthalene |
| 2-methyl-1-naphtoic acid |
| 2-Methylnaphthalen-1-carbonsaeure |
| 2-methyl-naphthalene |
| B-METHYLNAPHTHALENE |
| EINECS 202-078-3 |
| L66J B1 |
| 2-methyl-1-naphthoic acid |
| 2-metylnaphtalene |
| 2-METHYLNAPHTHALENE FOR SYNTHESIS |
| 2-Methylnaphthalen |
| 2-Methylnaphthalene |
| 2-methyl-1-naphthalenecarboxylic acid |
| 2-methylnaphtalene |
| 2-methylnaphthoic acid |
| MFCD00004118 |
| 2-METHYLNAPTHALENE |
| β-Methylnaphthalene |
| SS-METHYLNAPHTHALENE |
| Fasudil Impurity 13 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 2-methylnaphthalene? |
| A: Melting point of 2-methylnaphthalene is 34-36 °C(lit.). |
| Q: What is the CAS number of 2-methylnaphthalene? |
| A: CAS number of 2-methylnaphthalene is 91-57-6. |
| Q: What are the upstream materials of 2-methylnaphthalene? |
| A: Related upstream materials(CAS) of 2-methylnaphthalene: 90-11-9;917-54-4;1592-38-7;201230-82-2;114078-26-1;66-99-9;939-26-4;18081-08-8;75-16-1;2586-62-1. |
| Q: What is the InChIKey of 2-methylnaphthalene? |
| A: InChIKey of 2-methylnaphthalene is QIMMUPPBPVKWKM-UHFFFAOYSA-N. |
| Q: How is the water solubility of 2-methylnaphthalene? |
| A: Water solubility of 2-methylnaphthalene: 0.00246 g/100 mL. |
| Q: What is the LogP of 2-methylnaphthalene? |
| A: LogP of 2-methylnaphthalene is 3.91. |
| Q: What is the boiling point of 2-methylnaphthalene? |
| A: Boiling point of 2-methylnaphthalene is 239.9±3.0 °C at 760 mmHg. |
| Q: What is the molecular weight of 2-methylnaphthalene? |
| A: Molecular weight of 2-methylnaphthalene is 142.197. |
| Q: What are the downstream products of 2-methylnaphthalene? |
| A: Related downstream products(CAS) of 2-methylnaphthalene: 10546-24-4;108011-98-9;110876-52-3;4316-23-8;528-44-9;66-99-9;88-99-3;65-85-0;93-09-4;35699-44-6. |
| Q: What is the molecular formula of 2-methylnaphthalene? |
| A: Molecular formula of 2-methylnaphthalene is C11H10. |
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. |
| Henan Tianfu Chemical Co., Ltd. |