2-(p-Chlorophenyl)-3-methylbutyric Acid
2-(p-Chlorophenyl)-3-methylbutyric Acid structure
|
Common Name | 2-(p-Chlorophenyl)-3-methylbutyric Acid | ||
|---|---|---|---|---|
| CAS Number | 2012-74-0 | Molecular Weight | 212.673 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 318.7±17.0 °C at 760 mmHg | |
| Molecular Formula | C11H13ClO2 | Melting Point | 87-91 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 146.5±20.9 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(4-chlorophenyl)-3-methylbutyric 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 318.7±17.0 °C at 760 mmHg |
| Melting Point | 87-91 °C(lit.) |
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.673 |
| Flash Point | 146.5±20.9 °C |
| Exact Mass | 212.060410 |
| PSA | 37.30000 |
| LogP | 3.33 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.538 |
| InChIKey | VTJMSIIXXKNIDJ-UHFFFAOYSA-N |
| SMILES | CC(C)C(C(=O)O)c1ccc(Cl)cc1 |
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
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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 | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | ES8450000 |
| HS Code | 2916399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~89%
2-(p-Chlorophen... CAS#:2012-74-0 |
| Literature: Ihara Chemical Industry Co., Ltd. Patent: US4307034 A1, 1981 ; |
|
~72%
2-(p-Chlorophen... CAS#:2012-74-0 |
| Literature: Luzzio, Frederick A.; Fitch, Richard W. Advanced Synthesis and Catalysis, 2000 , vol. 342, # 5 p. 498 - 501 |
|
~69%
2-(p-Chlorophen... CAS#:2012-74-0 |
| Literature: Volkov, Yu. P.; Kalinevich, V. M.; Trusova, E. I.; Bilevich, K. A.; Kryshtal', G. V.; Yanovskaya, L. Ya. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1986 , vol. 35, # 6 p. 1239 - 1242 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1986 , # 6 p. 1365 - 1368 |
|
~%
2-(p-Chlorophen... CAS#:2012-74-0 |
| Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 35, # 6 p. 1239 - 1242 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 6 p. 1365 - 1368 |
|
~%
2-(p-Chlorophen... CAS#:2012-74-0 |
| Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 35, # 6 p. 1239 - 1242 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 6 p. 1365 - 1368 |
|
~%
2-(p-Chlorophen... CAS#:2012-74-0 |
| Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 35, # 6 p. 1239 - 1242 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 6 p. 1365 - 1368 |
|
~%
2-(p-Chlorophen... CAS#:2012-74-0
Detail
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| Literature: Angewandte Chemie, , vol. 96, # 2 p. 166 - 167 |
|
~%
2-(p-Chlorophen... CAS#:2012-74-0
Detail
Learn More
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| Literature: Angewandte Chemie, , vol. 96, # 2 p. 166 - 167 |
|
~%
2-(p-Chlorophen... CAS#:2012-74-0
Learn More
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| Literature: Journal of Agricultural and Food Chemistry, , vol. 53, # 19 p. 7415 - 7420 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 5 | |
CAS#:51631-50-6
CAS#:300851-67-6
CAS#:66230-04-4
CAS#:67614-33-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives 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.
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Name: Agonist activity at human FFA2 receptor expressed in CHO cells assessed as inhibition...
Source: ChEMBL
Target: Free fatty acid receptor 2
External Id: CHEMBL1069226
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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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: 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: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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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: Agonist activity at human FFA2 receptor expressed in CHO cells assessed as inhibition...
Source: ChEMBL
Target: Free fatty acid receptor 2
External Id: CHEMBL1069216
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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.
| 2-(4-Chlorophenyl)-3-methylbutyric acid |
| fenvalerate acid |
| MFCD00037763 |
| 4-Chloro-alpha-(1-Methylethyl)-Benzeneacetic Acid |
| 2-(4'-chlorophenyl)-3-methylbutanoic acid |
| 2-(p-Chlorophenyl)-3-methylbutyric Acid |
| 2-(4-Chlorophenyl)-3-methylbutanoic acid |
| fenvaleric acid |
| 2-(P-CHLOROPHENYL)-3-METHYLBUTYRIC ACID---WHITE CRYSTALS |
| Alpha-Isopropyl-4-Chlorophenylacetic Acid |
| 2-(4-chlorophenyl)isovaleric acid |
| EINECS 217-934-1 |
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 2-(4-chlorophenyl)-3-methylbutyric acid? |
| A: Related downstream products(CAS) of 2-(4-chlorophenyl)-3-methylbutyric acid: 51630-58-1;51631-50-6;300851-67-6;66230-04-4;67614-33-9. |
| Q: What is the safety information for 2-(4-chlorophenyl)-3-methylbutyric acid? |
| A: Safety information for 2-(4-chlorophenyl)-3-methylbutyric acid: S26-S36. |
| Q: What is the CAS number of 2-(4-chlorophenyl)-3-methylbutyric acid? |
| A: CAS number of 2-(4-chlorophenyl)-3-methylbutyric acid is 2012-74-0. |
| Q: What is the molecular formula of 2-(4-chlorophenyl)-3-methylbutyric acid? |
| A: Molecular formula of 2-(4-chlorophenyl)-3-methylbutyric acid is C11H13ClO2. |
| Q: What English synonyms does 2-(4-chlorophenyl)-3-methylbutyric acid have? |
| A: English synonyms of 2-(4-chlorophenyl)-3-methylbutyric acid: 2-(4-Chlorophenyl)-3-methylbutyric acid, fenvalerate acid, MFCD00037763, 4-Chloro-alpha-(1-Methylethyl)-Benzeneacetic Acid, 2-(4'-chlorophenyl)-3-methylbutanoic acid, 2-(p-Chlorophenyl)-3-methylbutyric Acid, 2-(4-Chlorophenyl)-3-methylbutanoic acid, fenvaleric acid, 2-(P-CHLOROPHENYL)-3-METHYLBUTYRIC ACID---WHITE CRYSTALS, Alpha-Isopropyl-4-Chlorophenylacetic Acid, 2-(4-chlorophenyl)isovaleric acid, EINECS 217-934-1. |
| Q: What is the molecular weight of 2-(4-chlorophenyl)-3-methylbutyric acid? |
| A: Molecular weight of 2-(4-chlorophenyl)-3-methylbutyric acid is 212.673. |
| Q: What is the SMILES notation of 2-(4-chlorophenyl)-3-methylbutyric acid? |
| A: SMILES notation of 2-(4-chlorophenyl)-3-methylbutyric acid is CC(C)C(C(=O)O)c1ccc(Cl)cc1. |
| Q: What are the upstream materials of 2-(4-chlorophenyl)-3-methylbutyric acid? |
| A: Related upstream materials(CAS) of 2-(4-chlorophenyl)-3-methylbutyric acid: 1878-66-6;75-29-6;74408-48-3;2012-81-9;140-53-4;106-43-4;622-95-7;5096-11-7;51631-99-3;27854-88-2. |
| Q: What is the InChIKey of 2-(4-chlorophenyl)-3-methylbutyric acid? |
| A: InChIKey of 2-(4-chlorophenyl)-3-methylbutyric acid is VTJMSIIXXKNIDJ-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-(4-chlorophenyl)-3-methylbutyric acid? |
| A: LogP of 2-(4-chlorophenyl)-3-methylbutyric acid is 3.33. |
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. |
| Henan Tianfu Chemical Co., Ltd. |