2-(3,4-dichlorophenoxy)benzonitrile
2-(3,4-dichlorophenoxy)benzonitrile structure
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Common Name | 2-(3,4-dichlorophenoxy)benzonitrile | ||
|---|---|---|---|---|
| CAS Number | 99902-85-9 | Molecular Weight | 264.10700 | |
| Density | 1.4g/cm3 | Boiling Point | 374.3ºC at 760 mmHg | |
| Molecular Formula | C13H7Cl2NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 180.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(3,4-dichlorophenoxy)benzonitrile |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4g/cm3 |
|---|---|
| Boiling Point | 374.3ºC at 760 mmHg |
| Molecular Formula | C13H7Cl2NO |
| Molecular Weight | 264.10700 |
| Flash Point | 180.2ºC |
| Exact Mass | 262.99000 |
| PSA | 33.02000 |
| LogP | 4.65738 |
| Index of Refraction | 1.633 |
| InChIKey | RUHGJWKIGJKQEW-UHFFFAOYSA-N |
| SMILES | N#Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
2-(3,4-dichloro... CAS#:99902-85-9 |
| Literature: Markley; Tong; Dulworth; Steward; Goralski; Johnston; Wood; Vinogradoff; Bargar Journal of Medicinal Chemistry, 1986 , vol. 29, # 3 p. 427 - 433 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Lowest concentration to reduce viral effect by 50% or more against Rhinovirus (RV)-2
Source: ChEMBL
Target: Enterovirus
External Id: CHEMBL799620
|
|
Name: Lowest concentration to reduce viral effect by 50% or more against Rhinovirus (RV)-1A
Source: ChEMBL
Target: Enterovirus
External Id: CHEMBL800917
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|
Name: Ratio of the MIC50 of 6-(4-Nitro-phenoxy)-nicotinonitrile compared to compound obtain...
Source: ChEMBL
Target: Coxsackievirus
External Id: CHEMBL661536
|
|
Name: Cytotoxicity concentration in HeLa cells
Source: ChEMBL
Target: HeLa
External Id: CHEMBL641837
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|
Name: Lowest concentration to reduce viral effect by 50% or more against coxsackie virus A2...
Source: ChEMBL
Target: Coxsackievirus
External Id: CHEMBL665061
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 2-(3,4-dichlorophenoxy)benzonitrile? |
| A: InChIKey of 2-(3,4-dichlorophenoxy)benzonitrile is RUHGJWKIGJKQEW-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-(3,4-dichlorophenoxy)benzonitrile? |
| A: LogP of 2-(3,4-dichlorophenoxy)benzonitrile is 4.65738. |
| Q: What is the molecular weight of 2-(3,4-dichlorophenoxy)benzonitrile? |
| A: Molecular weight of 2-(3,4-dichlorophenoxy)benzonitrile is 264.10700. |
| Q: What is the molecular formula of 2-(3,4-dichlorophenoxy)benzonitrile? |
| A: Molecular formula of 2-(3,4-dichlorophenoxy)benzonitrile is C13H7Cl2NO. |
| Q: What is the boiling point of 2-(3,4-dichlorophenoxy)benzonitrile? |
| A: Boiling point of 2-(3,4-dichlorophenoxy)benzonitrile is 374.3ºC at 760 mmHg. |
| Q: What are the upstream materials of 2-(3,4-dichlorophenoxy)benzonitrile? |
| A: Related upstream materials(CAS) of 2-(3,4-dichlorophenoxy)benzonitrile: 873-32-5;95-77-2. |
| Q: What is the SMILES notation of 2-(3,4-dichlorophenoxy)benzonitrile? |
| A: SMILES notation of 2-(3,4-dichlorophenoxy)benzonitrile is N#Cc1ccccc1Oc1ccc(Cl)c(Cl)c1. |
| Q: What is the CAS number of 2-(3,4-dichlorophenoxy)benzonitrile? |
| A: CAS number of 2-(3,4-dichlorophenoxy)benzonitrile is 99902-85-9. |
| Q: What is the Chinese name of 99902-85-9? |
| A: Chinese name of 99902-85-9 is 99902-85-9. |
| Q: What is the English name of 2-(3,4-dichlorophenoxy)benzonitrile? |
| A: The English name of 2-(3,4-dichlorophenoxy)benzonitrile is 2-(3,4-dichlorophenoxy)benzonitrile. |