붕산트리메틸
붕산트리메틸 · 트라이메틸보레이트 · 트라이메틸 보레이트 · B(OMe)3 · trimethyl · B(OCH3)3 · TRIMETHOXYBORANE · METHYL BORATE
식별자 및 물리적 특성
| CAS No. | 121-43-7 |
|---|---|
| 분자식 | C3H9BO3 |
| 평균 분자량 | 103.92 g/mol |
| 단동위원소 질량 | 104.06447455 g/mol |
| SMILES | COB(OC)OC |
| InChIKey | WRECIMRULFAWHA-UHFFFAOYSA-N |
| PubChem CID | 8470 |
| ChEBI | CHEBI:38913 |
| EC No. | 204-468-9 |
| DTXSID | DTXSID0037738 |
| 현지명 | 붕산트리메틸 |
화학 및 물리적 성질
| 극성 표면적 | 27.7 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 31.7 |
| 물질 분류 | Metals -> Metalloid Compounds (Boron)Flammable agents - 3rd degree |
| LogP(분배 계수) | -1.9 |
| 밀도 | 0.915 g/cu cmRelative density (water = 1): 0.9150.92 @ 20°C0.932 g/mL at 20 °C (lit.) |
| Color/Form | Colorless, moisture-sensitive liquidfumes in air |
| 용해도 | Miscible with tetrahydrofuran, ether, isoporpylamine, hexane, methanol, nujol, and other organic liquidsMiscible with alcohol, ethersoluble in polar nonhydroxylic solventsSolubility in water: reaction테트라히드로푸란, 에테르, 이소포르필아민, 헥산 및 메탄올과 혼합 가능. |
| 인화점 | less than 80 °F (NFPA, 2010)< 80 °F (< 27 °C) (closed cup)- 7 °C8 °F |
| 끓는 점 | 67.5 °C68 °C68 °C @760 [mm Hg]68-69 °C (lit.) |
| Decomposition | The substance decomposes on heating or on burning producing toxic fumes including boron oxide.When heated to decomposition it emit acrid smoke and irritating fumes. |
| 녹는점 | -29.3 °C-29 °C-34 °C (lit.) |
| 증기 밀도 | 3.59 (Air = 1)Relative vapor density (air = 1): 3.63.59 (vs air) |
| 증기압 | 137.0 [mmHg]137 mm Hg at 25 °CVapor pressure, kPa at 25 °C: 18137 [mm Hg] @25 °C147.9-148 hPa ( 20 °C) |
| 굴절률 | Index of refraction: 1.3568 at 20 °C/Dn20/D 1.358(lit.) |
| 저장 조건 | Store at <= 20°C. |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 비중 | 0.915 |
| 용해도 | 물과 반응 |
| 비열 | Cp(liquid): 1.83 J/(g·K), at 25℃ |
| Merck | 14,9712 |
| BRN | 1697939 |
| 유전율 | 8.2(20℃) |
| 안정성 | 안정적인. 산화제와 호환되지 않습니다. 수분이 있으면 천천히 분해되고 물에서는 빠르게 분해됩니다. 가연성. |
| InChI | 1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3 |
| InChIKey | WRECIMRULFAWHA-UHFFFAOYSA-N |
| SMILES | COB(OC)OC |
| NIST | Boric acid, trimethyl ester(121-43-7) |
| EPA | Boric acid (H3BO3), trimethyl ester (121-43-7) |
화학적 성질
Water-white moisture-sensitive liquid, fumes in the air. It forms an azeotrope with methanol with an azeotrope of 55°C. Miscible with ether, methanol, hexane, tetrahydrofuran; It is stable in anhydrous state and decomposes into methanol and boric acid in presence of water.
안전 및 규제
| GHS 분류 | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P280, P302+P352, P303+P361+P353, P317, P318, P321, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (40.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P316, P317, P318, P321, P330, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: Boric acid (H3BO3), trimethyl esterHazard Traits - Reproductive ToxicityBoric acid (H3BO3), trimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Boric acid (H3BO3), trimethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 01-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14170Boric acid, trimethyl ester: HSNO Approval: HSR001230 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. |
| 화재 가능성 | Flammable, fire risk ...A very dangerous fire hazard when exposed to heat, flame, or oxidizers. |
| 건강 유해성 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 | A skin and eye irritantInhalation may cause cough and sore throat |
용도
용도
Trimethyl borate is a useful reagent in organic synthesis. It is involved in the production of resins, waxes and paints and acts as a methylation agent. As a boron source, Trimethyl borate is used to prepare flame retardants, anti-oxidants and corrosion inhibitors. It reacts with Grignard reagents followed by hydrolysis to prepare boronic acid. It is also used as a precursor of borate esters, which finds application in the Suzuki coupling reaction. It is used as neutron detector gas in the presence of a scintillation counter; as a promoter of diborane reactions.
일반 설명
Trimethyl borate appears as a water-white liquid. Denser than water. Vapors heavier than air. Used as a solvent and fungicide for fruit.
제조 및 합성 방법
제조 방법
The preparation method of trimethyl borate1. The direct reaction between boric acid and methanol is as follows:3CH30H+H3B03→B (OCH3) 3+3H20Usually the trimethyl borate formed in the reaction forms an azeotrope with excess methanol and is distilled out together, and then the trimethyl borate is obtained by separating the azeotrope.2. The direct reaction between boron oxide and methanol is as follows:B203+6CH30H→2B (OCH3) 3+3H203. Borax, methanol and sulfuric acid are directly reacted, and the reaction formula is :Na2B4O7.1OH2O+12CH30H+2H2S04→4B (OCH3)3+2NaHS04+17H20