3-(4-(Hydroxymethyl)phenoxy)phthalonitrile
3-(4-(Hydroxymethyl)phenoxy)phthalonitrile structure
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Common Name | 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile | ||
|---|---|---|---|---|
| CAS Number | 649553-08-2 | Molecular Weight | 250.252 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 463.7±45.0 °C at 760 mmHg | |
| Molecular Formula | C15H10N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 234.2±28.7 °C | |
Summary: 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile (Chinese name: 3-(4-(羟甲基)苯氧基)邻苯二甲腈，CAS number: 649553-08-2，molecular formula: C15H10N2O2，molecular weight: 250.252) 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 | 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 463.7±45.0 °C at 760 mmHg |
| Molecular Formula | C15H10N2O2 |
| Molecular Weight | 250.252 |
| Flash Point | 234.2±28.7 °C |
| Exact Mass | 250.074234 |
| PSA | 77.04000 |
| LogP | 2.54 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.643 |
| InChIKey | OCNLKRIYTJEXPX-UHFFFAOYSA-N |
| SMILES | N#Cc1cccc(Oc2ccc(CO)cc2)c1C#N |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~74%
3-(4-(Hydroxyme... CAS#:649553-08-2 |
| Literature: Giuntini, Francesca; Raoul, Yann; Dei, Donata; Municchi, Moira; Chiti, Giacomo; Fabris, Clara; Colautti, Paolo; Jori, Giulio; Roncucci, Gabrio Tetrahedron Letters, 2005 , vol. 46, # 17 p. 2979 - 2982 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-[4-(Hydroxymethyl)phenoxy]phthalonitrile |
| 3-[4-(hydroxymethyl)phenoxy]benzene-1,2-dicarbonitrile |
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 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile? |
| A: Molecular formula of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile is C15H10N2O2. |
| Q: What is the English name of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile? |
| A: The English name of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile is 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile. |
| Q: What is the polar surface area (PSA) of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile? |
| A: Polar surface area (PSA) of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile is 77.04000. |
| Q: What is the molecular weight of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile? |
| A: Molecular weight of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile is 250.252. |
| Q: What is the CAS number of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile? |
| A: CAS number of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile is 649553-08-2. |
| Q: What is the boiling point of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile? |
| A: Boiling point of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile is 463.7±45.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile? |
| A: SMILES notation of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile is N#Cc1cccc(Oc2ccc(CO)cc2)c1C#N. |
| Q: What are the upstream materials of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile? |
| A: Related upstream materials(CAS) of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile: 623-05-2;51762-67-5. |
| Q: What is the InChIKey of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile? |
| A: InChIKey of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile is OCNLKRIYTJEXPX-UHFFFAOYSA-N. |
| Q: What English synonyms does 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile have? |
| A: English synonyms of 3-(4-(Hydroxymethyl)phenoxy)phthalonitrile: 3-[4-(Hydroxymethyl)phenoxy]phthalonitrile, 3-[4-(hydroxymethyl)phenoxy]benzene-1,2-dicarbonitrile. |
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. |