CAS Number657-06-7
Synonymsbenzoic acid,2-chloro-5-(trifluoromethyl); MFCD00061094; 2-Chloro-5-trifluoromethylbenzoic acid; 6-Chloro-α,α,α-trifluoro-m-toluic acid; 2-Chloro-5-(trifluoromethyl)benzoic acid; QVR BG EXFFF; 5-trifluoromethyl-2-chlorobenzoic acid; 2-Chloro-5-(trifluoromethyl)benzoicacid
Molecular FormulaClC6H3(NO2)CO2H
Molecular Weight201.56
Purity98%
Density1.5±0.1 g/cm3
Boiling Point270.4±40.0 °C at 760 mmHg
Melting Point165-168 °C (lit.)
EINECS219-739-7
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 657-06-7 |
| Catalog No. | 2A-9002928 |
| Chinese Name | 2-氯-5-(三氟甲基)苯甲酸 |
| Synonyms | benzoic acid,2-chloro-5-(trifluoromethyl); MFCD00061094; 2-Chloro-5-trifluoromethylbenzoic acid; 6-Chloro-α,α,α-trifluoro-m-toluic acid; 2-Chloro-5-(trifluoromethyl)benzoic acid; QVR BG EXFFF; 5-trifluoromethyl-2-chlorobenzoic acid; 2-Chloro-5-(trifluoromethyl)benzoicacid |
| Molecular Formula | ClC6H3(NO2)CO2H |
| Molecular Weight | 201.56 |
| Purity | 98 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 270.4±40.0 °C at 760 mmHg |
| Melting Point | 165-168 °C (lit.) |
| Storage Condition | Store in an airtight container in a cool, dry plac |
| EINECS | 219-739-7 |
| HTC | 2916399090 |
| PubChem ID | 329823586 |
| MDL Number | MFCD00007294 |
| SMILES | OC(=O)c1cc(ccc1Cl)[N+]([O-])=O |
| InChI | 1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11) |
| InChI Key | QUEKGYQTRJVEQC-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1877474 |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/2928_1_657_06_7.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular weight:224.6 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen chloride, hydrogen fluoride. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter Hazard Codes Xi RIDADR NONH for all modes of transport WGK Germany 3 HS Code 2916399090 Synthetic Route Carbon dioxide CAS#:124-38-9 4-Chlorobenzotr... CAS#:98-56-6 2-Chloro-5-(tri... CAS#:657-06-7 Literature: Mongin; Desponds; Schlosser Tetrahedron Letters, 1996 , vol. 37, # 16 p. 2767 - 2770 3-Bromo-4-chlor... CAS#:454-78-4 Carbon dioxide CAS#:124-38-9 2-Chloro-5-(tri... CAS#:657-06-7 Literature: Suna; Trapencieris Chemistry of Heterocyclic Compounds, 2000 , vol. 36, # 3 p. 287 - 300 4-Chlorobenzotr... CAS#:98-56-6 2-Chloro-5-(tri... CAS#:657-06-7 Literature: Chemistry of Heterocyclic Compounds, , vol. 36, # 3 p. 287 - 300 Precursor & DownStream Precursor 6 CAS#:124-38-9 Carbon dioxide CAS#:98-56-6 4-Chlorobenzotr... CAS#:454-78-4 3-Bromo-4-chlor... CAS#:121-50-6 3-Amino-4-chlor... DownStream 7 CAS#:1997-41-7 5-(trifluoromet... CAS#:207804-91-9 2-carboxymethyl... CAS#:26107-79-9 2-CHLORO-5-(TRI... CAS#:657-05-6 2-Chloro-5-(tri... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: 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% |
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