3-(Hydroxymethyl)benzonitrile
3-(Hydroxymethyl)benzonitrile structure
|
Common Name | 3-(Hydroxymethyl)benzonitrile | ||
|---|---|---|---|---|
| CAS Number | 874-97-5 | Molecular Weight | 133.147 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 283.8±15.0 °C at 760 mmHg | |
| Molecular Formula | C8H7NO | Melting Point | 28-32ºC | |
| MSDS | Chinese USA | Flash Point | 125.4±20.4 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(Hydroxymethyl)benzonitrile |
|---|---|
| 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 | 283.8±15.0 °C at 760 mmHg |
| Melting Point | 28-32ºC |
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.147 |
| Flash Point | 125.4±20.4 °C |
| Exact Mass | 133.052765 |
| PSA | 44.02000 |
| LogP | 0.47 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.572 |
| InChIKey | PCOFIIVWHXIDGT-UHFFFAOYSA-N |
| SMILES | N#Cc1cccc(CO)c1 |
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 |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S23-S36 |
| RIDADR | UN 3276 |
| WGK Germany | 3 |
| HS Code | 2926909090 |
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#:24964-64-5
CAS#:1877-72-1
CAS#:15852-73-0
CAS#:151-50-8
CAS#:10406-24-3
CAS#:2463-16-3
CAS#:28188-41-2
CAS#:620-22-4
CAS#:201230-82-2
CAS#:34231-22-6
CAS#:148278-90-4![3-[(4-formylphenoxy)methyl]benzonitrile structure](https://image.chemsrc.com/caspic/494/229309-18-6.png)
CAS#:229309-18-6
CAS#:28286-79-5
CAS#:226070-69-5
CAS#:64407-07-4
CAS#:13531-48-1
CAS#:1515-86-2This 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-(Hydroxymethyl)benzonitrile |
| MFCD01321087 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 3-(Hydroxymethyl)benzonitrile? |
| A: The English name of 3-(Hydroxymethyl)benzonitrile is 3-(Hydroxymethyl)benzonitrile. |
| Q: What are the downstream products of 3-(Hydroxymethyl)benzonitrile? |
| A: Related downstream products(CAS) of 3-(Hydroxymethyl)benzonitrile: 34231-22-6;148278-90-4;229309-18-6;28286-79-5;226070-69-5;28188-41-2;64407-07-4;13531-48-1;1515-86-2;24964-64-5. |
| Q: What is the melting point of 3-(Hydroxymethyl)benzonitrile? |
| A: Melting point of 3-(Hydroxymethyl)benzonitrile is 28-32ºC. |
| Q: What is the molecular formula of 3-(Hydroxymethyl)benzonitrile? |
| A: Molecular formula of 3-(Hydroxymethyl)benzonitrile is C8H7NO. |
| Q: What is the InChIKey of 3-(Hydroxymethyl)benzonitrile? |
| A: InChIKey of 3-(Hydroxymethyl)benzonitrile is PCOFIIVWHXIDGT-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3-(Hydroxymethyl)benzonitrile? |
| A: CAS number of 3-(Hydroxymethyl)benzonitrile is 874-97-5. |
| Q: What is the SMILES notation of 3-(Hydroxymethyl)benzonitrile? |
| A: SMILES notation of 3-(Hydroxymethyl)benzonitrile is N#Cc1cccc(CO)c1. |
| Q: What is the safety information for 3-(Hydroxymethyl)benzonitrile? |
| A: Safety information for 3-(Hydroxymethyl)benzonitrile: S23-S36. |
| Q: What is the polar surface area (PSA) of 3-(Hydroxymethyl)benzonitrile? |
| A: Polar surface area (PSA) of 3-(Hydroxymethyl)benzonitrile is 44.02000. |
| Q: What is the LogP of 3-(Hydroxymethyl)benzonitrile? |
| A: LogP of 3-(Hydroxymethyl)benzonitrile is 0.47. |
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. |