| Chemical & Physical Properties | |
|---|---|
| CAS Number | 874-89-5 |
| Catalog No. | 2A-9025511 |
| Chinese Name | 羟甲基 |
| Synonyms | MFCD00870633; 4-(Hydroxymethyl)benzonitrile |
| Molecular Formula | HOCH2C6H4CN |
| Molecular Weight | 133.15 |
| Purity | 95 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 297.4±23.0 °C at 760 mmHg |
| Melting Point | 39-43 °C (lit.) |
| Storage Condition | Room temperature, avoid light, ventilated and dry |
| HTC | 2926909090 |
| PubChem ID | 24874643 |
| MDL Number | MFCD00870633 |
| SMILES | OCc1ccc(cc1)C#N |
| InChI | 1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2 |
| InChI Key | XAASLEJRGFPHEV-UHFFFAOYSA-N |
| Beilstein/REAXYS | 2206193 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/25511_1_874_89_5.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:No data Flash point:No data Molecular formula: C8H7NO Molecular weight: 133.1 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-(Hydroxymethyl)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 Signal Word Warning Hazard Statements H302-H312-H315-H319-H332-H335 Precautionary Statements P261-P280-P305 + P351 + P338 Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves Hazard Codes Xn: Harmful; Safety Phrases 26-36 RIDADR UN 3439 WGK Germany 3.0 HS Code 2926909090 Synthetic Route 4-Cyanobenzoic ... 4-(Hydroxymethy... 4-Cyanobenzalde... 4-(Hydroxymethy... Literature: Lee, Seung Hwan; Nam, Mi Hye; Cho, Min Young; Yoo, Byung Woo; Rhee, Hak June; Yoon, Cheol Min Synthetic Communications, 2006 , vol. 36, # 17 p. 2469 - 2474 4-Bromobenzyl a... Sodium cyanide 4-(Hydroxymethy... Literature: Zanon, Jacopo; Klapars, Artis; Buchwald, Stephen L. Journal of the American Chemical Society, 2003 , vol. 125, # 10 p. 2890 - 2891 Precursor & DownStream Precursor 9 CAS#:619-65-8 4-Cyanobenzoic acid CAS#:105-07-7 4-Cyanobenzaldehyde CAS#:873-75-6 4-Bromobenzyl a... CAS#:143-33-9 Sodium cyanide DownStream 10 CAS#:5462-71-5 (4-Cyanophenyl)... CAS#:6068-72-0 4-Cyanobenzoyl ... CAS#:39895-56-2 4-Aminomethylbe... CAS#:17930-02-8 2-(4-CYANOPHENY... |
| 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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