3-Chloro-4-fluorobenzoic acid
3-Chloro-4-fluorobenzoic acid structure
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Common Name | 3-Chloro-4-fluorobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 403-16-7 | Molecular Weight | 174.557 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 287.4±20.0 °C at 760 mmHg | |
| Molecular Formula | C7H4ClFO2 | Melting Point | 133-135 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 127.6±21.8 °C | |
Summary: 3-Chloro-4-fluorobenzoic acid (Chinese name: 3-氯-4-氟苯甲酸，CAS number: 403-16-7), molecular formula: C7H4ClFO2, molecular weight: 174.557. Appears as gray-white to off-white crystals or needles, melting point 133-135°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Chloro-4-fluorobenzoic 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 287.4±20.0 °C at 760 mmHg |
| Melting Point | 133-135 °C(lit.) |
| Molecular Formula | C7H4ClFO2 |
| Molecular Weight | 174.557 |
| Flash Point | 127.6±21.8 °C |
| Exact Mass | 173.988388 |
| PSA | 37.30000 |
| LogP | 3.19 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.558 |
| InChIKey | PKTSBFXIHLYGEY-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(F)c(Cl)c1 |
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 | S37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2916399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~93%
3-Chloro-4-fluo... CAS#:403-16-7 |
| Literature: Clariant GmbH Patent: US6187952 B1, 2001 ; |
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~80%
3-Chloro-4-fluo... CAS#:403-16-7 |
| Literature: Gohier, Frederic; Castanet, Anne-Sophie; Mortier, Jacques Journal of Organic Chemistry, 2005 , vol. 70, # 4 p. 1501 - 1504 |
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~93%
3-Chloro-4-fluo... CAS#:403-16-7 |
| Literature: Korsager, Signe; Taaning, Rolf H.; Skrydstrup, Troels Journal of the American Chemical Society, 2013 , vol. 135, # 8 p. 2891 - 2894 |
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~%
3-Chloro-4-fluo... CAS#:403-16-7 |
| Literature: Diep,B.K. et al. Journal of the Chemical Society, 1963 , p. 2784 - 2787 |
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~%
3-Chloro-4-fluo... CAS#:403-16-7 |
| Literature: Diep,B.K. et al. Journal of the Chemical Society, 1963 , p. 2784 - 2787 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 9 | |
CAS#:36556-52-2
CAS#:137521-81-4
CAS#:234082-35-0
CAS#:154257-76-8
CAS#:161446-90-8
CAS#:36667-05-7
CAS#:863454-79-9This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Synthesis and Herbicidal Activity of 3-Chloro-4-fluorobenzoylthiourea [J]. Chang-chun LIU.
Chem. World 3 , 010, (2006)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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: 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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-chloro-4-fluorobenzioc acid |
| RARECHEM AL BO 0274 |
| 3-Chloro-4-fluorobenzoic acid |
| 3-Chloro-4-fluorobenzoicacid |
| 1-chloro-3-fluorobezene |
| QVR CG DF |
| 4-FLUORO-3-CHLOROBENZOIC ACID |
| MFCD00042477 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 3-Chloro-4-fluorobenzoic acid? |
| A: Molecular weight of 3-Chloro-4-fluorobenzoic acid is 174.557. |
| Q: What English synonyms does 3-Chloro-4-fluorobenzoic acid have? |
| A: English synonyms of 3-Chloro-4-fluorobenzoic acid: 3-chloro-4-fluorobenzioc acid, RARECHEM AL BO 0274, 3-Chloro-4-fluorobenzoic acid, 3-Chloro-4-fluorobenzoicacid, 1-chloro-3-fluorobezene, QVR CG DF, 4-FLUORO-3-CHLOROBENZOIC ACID, MFCD00042477. |
| Q: What is the polar surface area (PSA) of 3-Chloro-4-fluorobenzoic acid? |
| A: Polar surface area (PSA) of 3-Chloro-4-fluorobenzoic acid is 37.30000. |
| Q: What is the InChIKey of 3-Chloro-4-fluorobenzoic acid? |
| A: InChIKey of 3-Chloro-4-fluorobenzoic acid is PKTSBFXIHLYGEY-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3-Chloro-4-fluorobenzoic acid? |
| A: CAS number of 3-Chloro-4-fluorobenzoic acid is 403-16-7. |
| Q: What is the molecular formula of 3-Chloro-4-fluorobenzoic acid? |
| A: Molecular formula of 3-Chloro-4-fluorobenzoic acid is C7H4ClFO2. |
| Q: What is the boiling point of 3-Chloro-4-fluorobenzoic acid? |
| A: Boiling point of 3-Chloro-4-fluorobenzoic acid is 287.4±20.0 °C at 760 mmHg. |
| Q: What is the LogP of 3-Chloro-4-fluorobenzoic acid? |
| A: LogP of 3-Chloro-4-fluorobenzoic acid is 3.19. |
| Q: What is the melting point of 3-Chloro-4-fluorobenzoic acid? |
| A: Melting point of 3-Chloro-4-fluorobenzoic acid is 133-135 °C(lit.). |
| Q: What is the SMILES notation of 3-Chloro-4-fluorobenzoic acid? |
| A: SMILES notation of 3-Chloro-4-fluorobenzoic acid is O=C(O)c1ccc(F)c(Cl)c1. |
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. |