CAS Number3032-92-6
SynonymsBenzonitrile,4-ethynyl; 4-(1-ethynyl)benzonitrile; 4-cyanophenylacetylene; MFCD04974058; p-cyanophenylacetylene; 4-Ethynylbenzonitrile 97; 4-Ethynyl-benzonitrile; 4-ethynylbenzenecarbonitrile; (4-cyanophenyl)ethyne; 4-Ethynylbenzonitrile
Molecular FormulaHC≡CC6H4CN
Molecular Weight127.14
Purity97%
Density1.1±0.1 g/cm3
Boiling Point230.2±23.0 °C at 760 mmHg
Melting Point156-160 °C (lit.)
AppearanceSolid | Pale yellow
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3032-92-6 |
| Catalog No. | 2A-9076931 |
| Chinese Name | 4-乙基苯腈 |
| Synonyms | Benzonitrile,4-ethynyl; 4-(1-ethynyl)benzonitrile; 4-cyanophenylacetylene; MFCD04974058; p-cyanophenylacetylene; 4-Ethynylbenzonitrile 97; 4-Ethynyl-benzonitrile; 4-ethynylbenzenecarbonitrile; (4-cyanophenyl)ethyne; 4-Ethynylbenzonitrile |
| Molecular Formula | HC≡CC6H4CN |
| Molecular Weight | 127.14 |
| Purity | 97 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 230.2±23.0 °C at 760 mmHg |
| Melting Point | 156-160 °C (lit.) |
| Appearance | Solid | Pale yellow |
| Water Solubility | Slightly soluble in water. |
| Storage Condition | Store at room temperature in a cool and ventilated |
| HTC | 2926909090 |
| PubChem ID | 24852406 |
| MDL Number | MFCD04974058 |
| SMILES | C#Cc1ccc(cc1)C#N |
| InChI | 1S/C9H5N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H |
| InChI Key | LAGNMUUUMQJXBF-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/76931_1_3032_92_6.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage: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: Melting point:No data Flash point:No data Molecular formula: C9H5N Molecular weight: 127.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. 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-Ethynylbenzonitrile) 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 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; Safety Phrases 26-36 RIDADR NONH for all modes of transport WGK Germany 3 HS Code 2926909090 Synthetic Route Dimethyl (1-dia... 90965-06-3 4-Cyanobenzalde... 4-Ethynylbenzon... Literature: Baxendale, Ian R.; Ley, Steven V.; Mansfield, Andrew C.; Smith, Christopher D. Angewandte Chemie, International Edition, 2009 , vol. 48, p. 4017 - 4021 Angewandte Chemie, 2009 , vol. 121, p. 4077 - 4081 2-(2-trimethyls... 97308-62-8 4-Ethynylbenzon... 4-Iodobenzonitr... 4-Ethynylbenzon... Literature: Organic Letters, , vol. 8, # 4 p. 717 - 720 Precursor & DownStream Precursor 7 CAS#:75867-40-2 4-TRIMETHYLSILY... CAS#:90965-06-3 Dimethyl (1-dia... CAS#:105-07-7 4-Cyanobenzaldehyde CAS#:97308-62-8 2-(2-trimethyls... DownStream 10 CAS#:5216-36-4 4,4'-dicyanostilbene CAS#:273-53-0 Benzoxazole CAS#:838-33-5 4-BENZOOXAZOL-2... CAS#:1443-80-7 P-CYANOACETOPHENONE |
| 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% |
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