3-(2,4-Dichlorophenyl)propanoic acid structure
|
Common Name | 3-(2,4-Dichlorophenyl)propanoic acid | ||
|---|---|---|---|---|
| CAS Number | 55144-92-8 | Molecular Weight | 219.065 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 336.6±27.0 °C at 760 mmHg | |
| Molecular Formula | C9H8Cl2O2 | Melting Point | 89-93ºC | |
| MSDS | Chinese USA | Flash Point | 157.4±23.7 °C | |
| Symbol |
GHS05, GHS07, GHS09 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(2,4-dichlorophenyl)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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 336.6±27.0 °C at 760 mmHg |
| Melting Point | 89-93ºC |
| Molecular Formula | C9H8Cl2O2 |
| Molecular Weight | 219.065 |
| Flash Point | 157.4±23.7 °C |
| Exact Mass | 217.990128 |
| PSA | 37.30000 |
| LogP | 3.04 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.573 |
| InChIKey | HLNPVFSCAMKIOD-UHFFFAOYSA-N |
| SMILES | O=C(O)CCc1ccc(Cl)cc1Cl |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 55144-92-8: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: pink Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 89 - 91 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H8Cl2O2 Molecular Weight: 219.07 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 55144-92-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(2,4-Dichlorophenyl)propanoic acid - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 55144-92-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 55144-92-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 55144-92-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H315-H318-H335-H400 |
| Precautionary Statements | P261-P273-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful;N:Dangerousfortheenvironment; |
| Risk Phrases | R22;R37/38;R41;R50/53 |
| Safety Phrases | S26-S36-S60-S61 |
| RIDADR | UN 3077 |
| WGK Germany | 3 |
| HS Code | 2916399090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 3 | |
This 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: 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: 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: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
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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: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(2,4-Dichlorophenyl)propanoic acid |
| MFCD00275605 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 3-(2,4-dichlorophenyl)propionic acid? |
| A: LogP of 3-(2,4-dichlorophenyl)propionic acid is 3.04. |
| Q: What are the upstream materials of 3-(2,4-dichlorophenyl)propionic acid? |
| A: Related upstream materials(CAS) of 3-(2,4-dichlorophenyl)propionic acid: 1201-99-6;20595-45-3;82475-76-1;69793-07-3;37885-41-9;61023-54-9. |
| Q: What is the safety information for 3-(2,4-dichlorophenyl)propionic acid? |
| A: Safety information for 3-(2,4-dichlorophenyl)propionic acid: S26-S36-S60-S61. |
| Q: What is the English name of 3-(2,4-dichlorophenyl)propionic acid? |
| A: The English name of 3-(2,4-dichlorophenyl)propionic acid is 3-(2,4-dichlorophenyl)propionic acid. |
| Q: What is the SMILES notation of 3-(2,4-dichlorophenyl)propionic acid? |
| A: SMILES notation of 3-(2,4-dichlorophenyl)propionic acid is O=C(O)CCc1ccc(Cl)cc1Cl. |
| Q: What is the molecular weight of 3-(2,4-dichlorophenyl)propionic acid? |
| A: Molecular weight of 3-(2,4-dichlorophenyl)propionic acid is 219.065. |
| Q: What is the boiling point of 3-(2,4-dichlorophenyl)propionic acid? |
| A: Boiling point of 3-(2,4-dichlorophenyl)propionic acid is 336.6±27.0 °C at 760 mmHg. |
| Q: What English synonyms does 3-(2,4-dichlorophenyl)propionic acid have? |
| A: English synonyms of 3-(2,4-dichlorophenyl)propionic acid: 3-(2,4-Dichlorophenyl)propanoic acid, MFCD00275605. |
| Q: What is the polar surface area (PSA) of 3-(2,4-dichlorophenyl)propionic acid? |
| A: Polar surface area (PSA) of 3-(2,4-dichlorophenyl)propionic acid is 37.30000. |
| Q: What is the molecular formula of 3-(2,4-dichlorophenyl)propionic acid? |
| A: Molecular formula of 3-(2,4-dichlorophenyl)propionic acid is C9H8Cl2O2. |
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. |