4-Chlorobenzoylacetonitrile
4-Chlorobenzoylacetonitrile structure
|
Common Name | 4-Chlorobenzoylacetonitrile | ||
|---|---|---|---|---|
| CAS Number | 4640-66-8 | Molecular Weight | 179.603 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 349.3±22.0 °C at 760 mmHg | |
| Molecular Formula | C9H6ClNO | Melting Point | 129-133 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 165.1±22.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-chlorobenzoylacetonitrile |
|---|---|
| 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 | 349.3±22.0 °C at 760 mmHg |
| Melting Point | 129-133 °C(lit.) |
| Molecular Formula | C9H6ClNO |
| Molecular Weight | 179.603 |
| Flash Point | 165.1±22.3 °C |
| Exact Mass | 179.013794 |
| PSA | 40.86000 |
| LogP | 1.65 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.553 |
| InChIKey | JYOUFPNYTOFCSJ-UHFFFAOYSA-N |
| SMILES | N#CCC(=O)c1ccc(Cl)cc1 |
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:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Packaging Group | III |
| 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#:7335-27-5
CAS#:75-05-8
CAS#:122-01-0
CAS#:372-09-8
CAS#:1126-46-1
CAS#:637-87-6
CAS#:18293-53-3
CAS#:201230-82-2
CAS#:873-76-7
CAS#:107165-82-2
CAS#:19652-14-3
CAS#:33866-48-7
CAS#:78583-81-0![N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide structure](https://image.chemsrc.com/caspic/048/13097-20-6.png)
CAS#:13097-20-6
CAS#:1268524-70-4
CAS#:353285-41-3
CAS#:126417-82-1
CAS#:712-95-8
CAS#:74101-20-5This 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.
|
Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
|
|
Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
|
|
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(4-Chlorophenyl)-3-oxopropanenitrile |
| 4-Chlorophenacylcyanide |
| 3-(4-Chlorphenyl)-3-oxopropanonitril |
| 3-(4-Chloro-phenyl)-3-oxo-propionitrile |
| 4'-Chloro-2-cyanoacetophenone |
| (4-Chlorobenzoyl)acetonitrile |
| 4-Chlorobenzoylacetonitrile |
| MFCD00051625 |
| 4-Chloro benzoylacetonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 4-chlorobenzoylacetonitrile? |
| A: Related downstream products(CAS) of 4-chlorobenzoylacetonitrile: 107165-82-2;19652-14-3;33866-48-7;78583-81-0;13097-20-6;1268524-70-4;353285-41-3;126417-82-1;712-95-8;74101-20-5. |
| Q: What are the upstream materials of 4-chlorobenzoylacetonitrile? |
| A: Related upstream materials(CAS) of 4-chlorobenzoylacetonitrile: 7335-27-5;75-05-8;122-01-0;372-09-8;1126-46-1;637-87-6;18293-53-3;201230-82-2;873-76-7. |
| Q: What English synonyms does 4-chlorobenzoylacetonitrile have? |
| A: English synonyms of 4-chlorobenzoylacetonitrile: 3-(4-Chlorophenyl)-3-oxopropanenitrile, 4-Chlorophenacylcyanide, 3-(4-Chlorphenyl)-3-oxopropanonitril, 3-(4-Chloro-phenyl)-3-oxo-propionitrile, 4'-Chloro-2-cyanoacetophenone, (4-Chlorobenzoyl)acetonitrile, 4-Chlorobenzoylacetonitrile, MFCD00051625, 4-Chloro benzoylacetonitrile. |
| Q: What is the molecular weight of 4-chlorobenzoylacetonitrile? |
| A: Molecular weight of 4-chlorobenzoylacetonitrile is 179.603. |
| Q: What is the melting point of 4-chlorobenzoylacetonitrile? |
| A: Melting point of 4-chlorobenzoylacetonitrile is 129-133 °C(lit.). |
| Q: What is the safety information for 4-chlorobenzoylacetonitrile? |
| A: Safety information for 4-chlorobenzoylacetonitrile: S26-S36. |
| Q: What is the InChIKey of 4-chlorobenzoylacetonitrile? |
| A: InChIKey of 4-chlorobenzoylacetonitrile is JYOUFPNYTOFCSJ-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 4-chlorobenzoylacetonitrile? |
| A: Polar surface area (PSA) of 4-chlorobenzoylacetonitrile is 40.86000. |
| Q: What is the English name of 4-chlorobenzoylacetonitrile? |
| A: The English name of 4-chlorobenzoylacetonitrile is 4-chlorobenzoylacetonitrile. |
| Q: What is the CAS number of 4-chlorobenzoylacetonitrile? |
| A: CAS number of 4-chlorobenzoylacetonitrile is 4640-66-8. |
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. |