CAS Number1735-53-1
SynonymsNCR DE CXFFF; 4-Bromo-α,α,α-trifluoro-m-tolunitrile; 3-Trifluoromethyl-4-Bromobenzonitrile; 4-Bromo-3-(trifluoromethyl)benzonitrile; 4-Brom-3-(trifluormethyl)benzolcarbonitril; MFCD03095347
Molecular FormulaC8H3BrF3N
Molecular Weight250.015
Purity98%
Density1.7±0.1 g/cm3
Boiling Point235.6±35.0 °C at 760 mmHg
Melting Point80-82ºC
AppearanceLight yellow solid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1735-53-1 |
| Catalog No. | 2A-9005380 |
| Chinese Name | 3-三氟甲基-4-溴苯腈 |
| Synonyms | NCR DE CXFFF; 4-Bromo-α,α,α-trifluoro-m-tolunitrile; 3-Trifluoromethyl-4-Bromobenzonitrile; 4-Bromo-3-(trifluoromethyl)benzonitrile; 4-Brom-3-(trifluormethyl)benzolcarbonitril; MFCD03095347 |
| Molecular Formula | C8H3BrF3N |
| Molecular Weight | 250.015 |
| Purity | 98 |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 235.6±35.0 °C at 760 mmHg |
| Melting Point | 80-82ºC |
| Appearance | Light yellow solid |
| Storage Condition | Room Temperature |
| HTC | 2926909090 |
| SMILES | N#Cc1ccc(Br)c(C(F)(F)F)c1 |
| InChI Key | KSXUIQQDHHFSRN-UHFFFAOYSA-N |
| MSDS | msds/5380_1_1735_53_1.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 formula:C8H3BrF3N Molecular weight:250.0 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride, hydrogen bromide. 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 Proper shipping name: NITRILES, TOXIC, SOLID, N.O.S. (4-Bromo-3-(trifluoromethyl)benzonitrile) 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 Hazard Codes Xn Risk Phrases 22 HS Code 2926909090 Synthetic Route Total: 1 Page 4-Bromo-3-(trif... CAS#:393-36-2 4-Bromo-3-(trif... CAS#:1735-53-1 Literature: Synthetic Communications, , vol. 26, # 8 p. 1575 - 1578 Copper cyanide CAS#:544-92-3 4-Bromo-3-(trif... CAS#:393-36-2 4-Bromo-3-(trif... CAS#:1735-53-1 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 4 p. 385 - 389 Precursor & DownStream Precursor 2 CAS#:393-36-2 4-Bromo-3-(trif... CAS#:544-92-3 Copper cyanide DownStream 2 CAS#:267242-09-1 4-Cyano-2-(trif... CAS#:161622-14-6 4-Bromo-3-(trif... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
| Related Products in Functional Building Blocks | ||
|---|---|---|
| 4-Bromo-2-fluorobenzeneboronic acid | 216393-64-5 | 2A-9005343 |
| 4-Bromo-2-furaldehyde | 21921-76-6 | 2A-9005363 |
| 4-Bromo-3-(trifluoromethyl)acetanilide | 41513-05-7 | 2A-9005377 |
| 4-Bromo-3-(trifluoromethyl)benzene sulphonamide | 351003-64-0 | 2A-9005378 |
| 4-Bromo-3-(trifluoromethyl)benzene sulphonyl chloride | 351003-47-9 | 2A-9005379 |
| 4-Bromo-3-(trifluoromethyl)phenol | 320-49-0 | 2A-9005381 |
| 4-Bromo-3,5-bis(trifluoromethyl)aniline | 268733-18-2 | 2A-9005390 |
| 4-Bromo-3,5-dimethoxybenzaldehyde | 31558-40-4 | 2A-9005399 |
| 4-Bromo-3,5-dimethylbenzaldehyde | 2A-105404 | 2A-9005404 |
| 4-Bromo-3-bromomethylene-2-methyl-1-phenylpyrazolin-5-one | 2A-105409 | 2A-9005409 |
| Browse all Functional Building Blocks products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS