3-Anilinopropionitrile
3-Anilinopropionitrile structure
|
Common Name | 3-Anilinopropionitrile | ||
|---|---|---|---|---|
| CAS Number | 1075-76-9 | Molecular Weight | 146.18900 | |
| Density | 1.08 g/cm3 | Boiling Point | 160 °C / 6mmHg | |
| Molecular Formula | C9H10N2 | Melting Point | 52-53 °C(lit.) | |
| MSDS | N/A | Flash Point | >230 °F | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Anilinopropionitrile |
|---|---|
| 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 | 1.08 g/cm3 |
|---|---|
| Boiling Point | 160 °C / 6mmHg |
| Melting Point | 52-53 °C(lit.) |
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.18900 |
| Flash Point | >230 °F |
| Exact Mass | 146.08400 |
| PSA | 35.82000 |
| LogP | 2.08518 |
| Vapour Pressure | 0.00018mmHg at 25°C |
| Index of Refraction | 1.5632 (25ºC) |
| InChIKey | FENJKTQEFUPECW-UHFFFAOYSA-N |
| SMILES | N#CCCNc1ccccc1 |
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
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn:Harmful; |
|---|---|
| Risk Phrases | R20/21 |
| Safety Phrases | S26-S37/39-S36/37 |
| WGK Germany | 3 |
| RTECS | UG0770000 |
| 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#:107-13-1
CAS#:542-76-7
CAS#:703-56-0
CAS#:2417-90-5
CAS#:32316-92-0
CAS#:58469-32-2
CAS#:142-04-1![2-[Bis-(2-cyanethyl)-amino]-buttersaeure Structure](https://image.chemsrc.com/caspic/435/100133-37-7.png)
CAS#:100133-37-7
CAS#:51078-50-3
CAS#:57662-47-2
CAS#:92-64-8
CAS#:3314-35-0
CAS#:78331-52-9
CAS#:4414-81-7
CAS#:4742-01-2
CAS#:54734-95-1
CAS#:5652-38-0
CAS#:61544-72-7![5-[[3,5-bis(methylamino)phenyl]methyl]pyrimidine-2,4-diamine structure](https://image.chemsrc.com/caspic/397/61544-27-2.png)
CAS#:61544-27-2This 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 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.
| 3-anilinopropanenitrile |
| EINECS 214-057-6 |
| MFCD00001953 |
| N-(2-Cyanoethyl)aniline |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 3-Anilinopropionitrile? |
| A: CAS number of 3-Anilinopropionitrile is 1075-76-9. |
| Q: What is the SMILES notation of 3-Anilinopropionitrile? |
| A: SMILES notation of 3-Anilinopropionitrile is N#CCCNc1ccccc1. |
| Q: What is the LogP of 3-Anilinopropionitrile? |
| A: LogP of 3-Anilinopropionitrile is 2.08518. |
| Q: What is the molecular formula of 3-Anilinopropionitrile? |
| A: Molecular formula of 3-Anilinopropionitrile is C9H10N2. |
| Q: What English synonyms does 3-Anilinopropionitrile have? |
| A: English synonyms of 3-Anilinopropionitrile: 3-anilinopropanenitrile, EINECS 214-057-6, MFCD00001953, N-(2-Cyanoethyl)aniline. |
| Q: What is the InChIKey of 3-Anilinopropionitrile? |
| A: InChIKey of 3-Anilinopropionitrile is FENJKTQEFUPECW-UHFFFAOYSA-N. |
| Q: What is the English name of 3-Anilinopropionitrile? |
| A: The English name of 3-Anilinopropionitrile is 3-Anilinopropionitrile. |
| Q: What is the melting point of 3-Anilinopropionitrile? |
| A: Melting point of 3-Anilinopropionitrile is 52-53 °C(lit.). |
| Q: What are the upstream materials of 3-Anilinopropionitrile? |
| A: Related upstream materials(CAS) of 3-Anilinopropionitrile: 107-13-1;542-76-7;703-56-0;2417-90-5;32316-92-0;58469-32-2;142-04-1;100133-37-7;51078-50-3. |
| Q: What are the downstream products of 3-Anilinopropionitrile? |
| A: Related downstream products(CAS) of 3-Anilinopropionitrile: 57662-47-2;92-64-8;3314-35-0;78331-52-9;4414-81-7;4742-01-2;54734-95-1;5652-38-0;61544-72-7;61544-27-2. |
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. |