4-(4-Chlorophenyl)-4-oxobutanoic acid
4-(4-Chlorophenyl)-4-oxobutanoic acid structure
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Common Name | 4-(4-Chlorophenyl)-4-oxobutanoic acid | ||
|---|---|---|---|---|
| CAS Number | 3984-34-7 | Molecular Weight | 212.630 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 408.8±25.0 °C at 760 mmHg | |
| Molecular Formula | C10H9ClO3 | Melting Point | 128-130 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 201.0±23.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(4-Chlorobenzoyl)propionic acid |
|---|---|
| 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 | 408.8±25.0 °C at 760 mmHg |
| Melting Point | 128-130 °C(lit.) |
| Molecular Formula | C10H9ClO3 |
| Molecular Weight | 212.630 |
| Flash Point | 201.0±23.2 °C |
| Exact Mass | 212.024017 |
| PSA | 54.37000 |
| LogP | 1.97 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.561 |
| InChIKey | AHVASTJJVAYFPY-UHFFFAOYSA-N |
| SMILES | O=C(O)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.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2918300090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
4-(4-Chlorophen... CAS#:3984-34-7 |
| Literature: Mori, Akinori; Mizusaki, Tomoteru; Miyakawa, Yumi; Ohashi, Eri; Haga, Tomoko; Maegawa, Tomohiro; Monguchi, Yasunari; Sajiki, Hironao Tetrahedron, 2006 , vol. 62, # 51 p. 11925 - 11932 |
|
~72%
4-(4-Chlorophen... CAS#:3984-34-7 |
| Literature: Mogilaiah; Reddy, N. Vasudeva; Reddy, G. Randheer Synthetic Communications, 2003 , vol. 33, # 18 p. 3109 - 3113 |
|
~82%
4-(4-Chlorophen... CAS#:3984-34-7 |
| Literature: Pawar; Waghmare; Lokhande Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006 , vol. 45, # 11 p. 2549 - 2551 |
|
~%
4-(4-Chlorophen... CAS#:3984-34-7 |
| Literature: Knott Journal of the Chemical Society, 1947 , p. 1196,1200 |
|
~%
4-(4-Chlorophen... CAS#:3984-34-7 |
| Literature: Dauben; Tilles Journal of Organic Chemistry, 1950 , vol. 15, p. 785,787 |
|
~%
4-(4-Chlorophen... CAS#:3984-34-7 |
| Literature: Rahman, M. T.; Nur, H. P. Journal of the Indian Chemical Society, 1994 , vol. 71, # 6-8 p. 469 - 474 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
CAS#:1079-73-8
CAS#:58059-29-3
CAS#:4619-18-5
CAS#:18410-18-9
CAS#:18338-90-4
CAS#:2166-13-4
CAS#:2166-01-0
CAS#:20637-04-1
CAS#:141-82-2
CAS#:74-11-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918300090 |
|---|---|
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Assays to identify small molecules inhibitory for eIF4E expression
Source: 13133
Target: N/A
External Id: 20160513eIF4E
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Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-FF
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-Ren
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| QV2VR DG |
| 4-(4-Chlorophenyl)-4-oxobutanoic acid |
| 3-(4-Chlorobenzoyl)propionic acid |
| EINECS 223-627-3 |
| MFCD00002794 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 3-(4-Chlorobenzoyl)propionic acid have? |
| A: English synonyms of 3-(4-Chlorobenzoyl)propionic acid: QV2VR DG, 4-(4-Chlorophenyl)-4-oxobutanoic acid, 3-(4-Chlorobenzoyl)propionic acid, EINECS 223-627-3, MFCD00002794. |
| Q: What are the upstream materials of 3-(4-Chlorobenzoyl)propionic acid? |
| A: Related upstream materials(CAS) of 3-(4-Chlorobenzoyl)propionic acid: 29582-39-6;108-30-5;108-90-7;292638-85-8;33599-26-7;40394-87-4;7148-01-8;51833-36-4. |
| Q: What is the SMILES notation of 3-(4-Chlorobenzoyl)propionic acid? |
| A: SMILES notation of 3-(4-Chlorobenzoyl)propionic acid is O=C(O)CCC(=O)c1ccc(Cl)cc1. |
| Q: What is the polar surface area (PSA) of 3-(4-Chlorobenzoyl)propionic acid? |
| A: Polar surface area (PSA) of 3-(4-Chlorobenzoyl)propionic acid is 54.37000. |
| Q: What is the LogP of 3-(4-Chlorobenzoyl)propionic acid? |
| A: LogP of 3-(4-Chlorobenzoyl)propionic acid is 1.97. |
| Q: What is the melting point of 3-(4-Chlorobenzoyl)propionic acid? |
| A: Melting point of 3-(4-Chlorobenzoyl)propionic acid is 128-130 °C(lit.). |
| Q: What are the downstream products of 3-(4-Chlorobenzoyl)propionic acid? |
| A: Related downstream products(CAS) of 3-(4-Chlorobenzoyl)propionic acid: 1079-73-8;58059-29-3;4619-18-5;18410-18-9;18338-90-4;2166-13-4;2166-01-0;20637-04-1;141-82-2;74-11-3. |
| Q: What is the molecular weight of 3-(4-Chlorobenzoyl)propionic acid? |
| A: Molecular weight of 3-(4-Chlorobenzoyl)propionic acid is 212.630. |
| Q: What is the CAS number of 3-(4-Chlorobenzoyl)propionic acid? |
| A: CAS number of 3-(4-Chlorobenzoyl)propionic acid is 3984-34-7. |
| Q: What is the English name of 3-(4-Chlorobenzoyl)propionic acid? |
| A: The English name of 3-(4-Chlorobenzoyl)propionic acid is 3-(4-Chlorobenzoyl)propionic acid. |
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. |