2-Chloro-6-fluorobenzoic acid
2-Chloro-6-fluorobenzoic acid structure
|
Common Name | 2-Chloro-6-fluorobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 434-75-3 | Molecular Weight | 174.557 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 263.7±20.0 °C at 760 mmHg | |
| Molecular Formula | C7H4ClFO2 | Melting Point | 155-157 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 113.3±21.8 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Chloro-6-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 | 263.7±20.0 °C at 760 mmHg |
| Melting Point | 155-157 °C(lit.) |
| Molecular Formula | C7H4ClFO2 |
| Molecular Weight | 174.557 |
| Flash Point | 113.3±21.8 °C |
| Exact Mass | 173.988388 |
| PSA | 37.30000 |
| LogP | 1.56 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.558 |
| InChIKey | XNTIGDVFBDJLTQ-UHFFFAOYSA-N |
| SMILES | O=C(O)c1c(F)cccc1Cl |
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-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 29163900 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~99%
2-Chloro-6-fluo... CAS#:434-75-3 |
| Literature: Giurg; Said; Syper; Mlochowski Synthetic Communications, 2001 , vol. 31, # 20 p. 3151 - 3159 |
|
~41%
2-Chloro-6-fluo... CAS#:434-75-3 |
| Literature: Choi, Joong-Kwon; Chang, Young-Kil; Hong, Sung Yeap Tetrahedron Letters, 1988 , vol. 29, # 16 p. 1967 - 1970 |
|
~%
2-Chloro-6-fluo... CAS#:434-75-3 |
| Literature: Lock Chemische Berichte, 1936 , vol. 69, p. 2253,2255 |
|
~%
2-Chloro-6-fluo... CAS#:434-75-3 |
| Literature: Mongin, Florence; Schlosser, Manfred Tetrahedron Letters, 1996 , vol. 37, # 36 p. 6551 - 6554 |
|
~%
2-Chloro-6-fluo... CAS#:434-75-3 |
| Literature: Varma; Raman; Nilkantiah Journal of the Indian Chemical Society, 1944 , vol. 21, p. 112,114 |
|
~%
2-Chloro-6-fluo... CAS#:434-75-3 |
| Literature: Lock Chemische Berichte, 1936 , vol. 69, p. 2253,2255 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 6 | |
CAS#:363-51-9
CAS#:79455-63-3
CAS#:2436-96-6
CAS#:1352638-60-8
CAS#:1352638-62-0
CAS#:114324-70-8This 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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In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
Proc. Natl. Acad. Sci. U. S. A. 105 , 9059-64, (2008) The growing resistance to current first-line antimalarial drugs represents a major health challenge. To facilitate the discovery of new antimalarials, we have implemented an efficient and robust high-... |
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2-Chloro-6-fluoro-benzoic acid.
Acta Crystallogr. Sect. E Struct. Rep. Online 67(Pt 6) , o1329, (2011) The title compound, C(7)H(4)ClFO(2), is a twofold halogenated derivative of benzoic acid. The C-C-C angles within the aromatic moiety cover a range 116.11 (14)-123.96 (15)°, with the maximum and the m... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL1040691
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Name: NOVARTIS: Inhibition Frequency Index (IFI) - the number of HTS assays where a compoun...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1040694
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Name: NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in er...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL1040692
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Name: NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)
Source: ChEMBL
Target: Huh-7
External Id: CHEMBL1040693
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| QVR BG FF |
| 2-chlor-6-fluorobenzoic acid |
| MFCD00002417 |
| EINECS 207-105-2 |
| 2-Chlor-6-fluor-benzoesaeure |
| 2-fluoro-6-chlorobenzoic acid |
| 2-Chloro-6-fluorobenzoic acid |
| 2-CHLORO-6-FLUROBENZOIC ACID pure |
| RARECHEM AL BO 0022 |
| Benzoic acid,2-chloro-6-fluoro |
| 2-Chloro-6-fluorobenzoicacid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2-Chloro-6-fluorobenzoic acid? |
| A: SMILES notation of 2-Chloro-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1Cl. |
| Q: What is the InChIKey of 2-Chloro-6-fluorobenzoic acid? |
| A: InChIKey of 2-Chloro-6-fluorobenzoic acid is XNTIGDVFBDJLTQ-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-Chloro-6-fluorobenzoic acid? |
| A: LogP of 2-Chloro-6-fluorobenzoic acid is 1.56. |
| Q: What English synonyms does 2-Chloro-6-fluorobenzoic acid have? |
| A: English synonyms of 2-Chloro-6-fluorobenzoic acid: QVR BG FF, 2-chlor-6-fluorobenzoic acid, MFCD00002417, EINECS 207-105-2, 2-Chlor-6-fluor-benzoesaeure, 2-fluoro-6-chlorobenzoic acid, 2-Chloro-6-fluorobenzoic acid, 2-CHLORO-6-FLUROBENZOIC ACID pure, RARECHEM AL BO 0022, Benzoic acid,2-chloro-6-fluoro, 2-Chloro-6-fluorobenzoicacid. |
| Q: What is the polar surface area (PSA) of 2-Chloro-6-fluorobenzoic acid? |
| A: Polar surface area (PSA) of 2-Chloro-6-fluorobenzoic acid is 37.30000. |
| Q: What are the downstream products of 2-Chloro-6-fluorobenzoic acid? |
| A: Related downstream products(CAS) of 2-Chloro-6-fluorobenzoic acid: 363-51-9;79455-63-3;2436-96-6;1352638-60-8;1352638-62-0;114324-70-8. |
| Q: What is the English name of 2-Chloro-6-fluorobenzoic acid? |
| A: The English name of 2-Chloro-6-fluorobenzoic acid is 2-Chloro-6-fluorobenzoic acid. |
| Q: What is the molecular formula of 2-Chloro-6-fluorobenzoic acid? |
| A: Molecular formula of 2-Chloro-6-fluorobenzoic acid is C7H4ClFO2. |
| Q: What is the melting point of 2-Chloro-6-fluorobenzoic acid? |
| A: Melting point of 2-Chloro-6-fluorobenzoic acid is 155-157 °C(lit.). |
| Q: What are the upstream materials of 2-Chloro-6-fluorobenzoic acid? |
| A: Related upstream materials(CAS) of 2-Chloro-6-fluorobenzoic acid: 443-33-4;387-45-1;443-83-4;124-38-9;625-98-9;95-52-3. |
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. |