基本信息
- 标准SMILES
COB(OC)OC- InChIKey
WRECIMRULFAWHA-UHFFFAOYSA-N- 分子式
- C3H9BO3
- 平均分子量
- 103.92 g/mol
- 单同位素质量
- 104.06447455
概述
Trimethyl borate appears as a water-white liquid. Denser than water. Vapors heavier than air. Used as a solvent and fungicide for fruit.
名称与标识
- 首选名称
- Trimethyl borate
- IUPAC
- trimethyl borate
- 中文名
- 硼酸三甲酯
- 英文名
- Trimethyl borate
- 分子式
- C3H9BO3
- 分子量
- 103.91
名称与别名
展开更多名称
数据库标识
- CAS
121-43-7、3349-42-6- PubChem CID
- 8470
- DTXSID
DTXSID0037738- ChEBI
CHEBI:38913- UNII
- 82U64J6F5N
- EC Number
- 204-468-9、693-032-5、934-685-0
- Nikkaji
- J2.484H
性质
结构计算性质
- 极性表面积
- 27.7 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 7
- 形式电荷
- 0
- 复杂度
- 31.7
实验与物化性质
Chemical Classes
Metals -> Metalloid Compounds (Boron)
Flammable agents - 3rd degree
Density
0.915 g/cu cm
Relative density (water = 1): 0.915
0.92 @ 20°C
Solubility
Miscible with tetrahydrofuran, ether, isoporpylamine, hexane, methanol, nujol, and other organic liquids
Miscible with alcohol, ether; soluble in polar nonhydroxylic solvents
Solubility in water: reaction
Flash Point
less than 80 °F (NFPA, 2010)
< 80 °F (< 27 °C) (closed cup)
- 7 °C
Boiling Point
67.5 °C
68 °C
68 °C @760 [mm Hg]
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.
Melting Point
-29.3 °C
-29 °C
-29 °C
Vapor Density
3.59 (Air = 1)
Relative vapor density (air = 1): 3.6
Vapor Pressure
137.0 [mmHg]
137 mm Hg at 25 °C
Vapor pressure, kPa at 25 °C: 18
137 [mm Hg] @25 °C
物理化学性质
- 熔点
- -34 °C · -34 °C (lit.)
- 沸点
- 68 · 68-69 °C (lit.)
- 密度
- 0.932 g/mL · 0.932 g/mL at 20 °C (lit.)
- 蒸气密度
- 3.59 · 3.59 (vs air)
- 蒸气压
- 147.9 · 147.9-148 hPa ( 20 °C)
- 折射率
- 20 · n20/D 1.358(lit.)
- 闪点
- 8 °F · 8 °F
- 储存条件
- 20 °C · Store at <= 20°C.
- 溶解度
- Miscible with tetrahydrofuran, ether, isoporpylamine, hexane and methanol.
- 形态
- Liquid
- 比重
- 0.915 · 0.915
- 颜色
- Colorless
- 水溶解性
- reacts
- 比热容
- 1.83 J/ · Cp(liquid): 1.83 J/(g·K), at 25℃
- 水解敏感性
- 7 · 7: reacts slowly with moisture/water
- 敏感性
- Moisture Sensitive
- Merck
- 14 · 14,9712
- BRN
- 1697939 · 1697939
- 介电常数
- 8.2 · 8.2(20℃)
- 暴露限值
- 200 ppm; · ACGIH: TWA 200 ppm; STEL 250 ppm (Skin)OSHA: TWA 200 ppm(260 mg/m3)NIOSH: IDLH 6000 ppm; TWA 200 ppm(260 mg/m3); STEL 250 ppm(325 mg/m3)
- 稳定性
- Stable. Incompatible with oxidizing agents. Decomposes slowly in the presence of moisture, rapidly in water. Flammable.
- InChI
- 1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3
- InChIKey
- WRECIMRULFAWHA-UHFFFAOYSA-N
- SMILES
- COB(OC)OC
- CAS 数据库
- 121 · 121-43-7(CAS DataBase Reference)
- NIST化学物质信息
- Boric acid, trimethyl ester(121-43-7)
- EPA化学物质信息
- Boric acid (H3BO3), trimethyl ester (121-43-7)
化学性质
湿敏性液体,在空气中发烟。熔点-29.3℃,沸点 68-69℃ ,与甲醇形成共沸混合物,共沸点55℃ ,相对密度(20/4) 0.920,折光率(nD25) 1.3543(1.3548)。极易燃烧,闪点 -1℃ 。与乙醚、甲醇、四氢呋喃、异丙胺及己烷等互溶。无水状态稳定,遇水分解成甲醇及硼酸。
安全与法规
GHS分类
GHS Classification
Danger
H226: 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)
Danger
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)
危害信息
Regulatory Information
Chemical: Boric acid (H3BO3), trimethyl ester
Hazard Traits - Reproductive Toxicity
Boric 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/14170
Boric acid, trimethyl ester: HSNO Approval: HSR001230 Approved with controls
The 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.)
Fire Hazards
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.
Fire Potential
Flammable, fire risk ...
A very dangerous fire hazard when exposed to heat, flame, or oxidizers.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
A skin and eye irritant; Inhalation may cause cough and sore throat; [ICSC] Chronic poisoning in grazing animals where soil is high in boric acid results in vomiting, diarrhea, shock, convulsions, and paralysis; Post-mortem findings include inflammation of the GI tract, liver and kidney damage, and cerebral edema; [HSDB]
安全与防护
Fire Fighting
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Use foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water.
First Aid Measures
Fresh air, rest.
Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Refer for medical attention .
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Fire Fighting Procedures
To fight fire use dry chemical, CO2, spray, foam.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid stream of water may be ineffective. Cool all affected containers with flooding quantities of water. Use "alcohol" foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.
Cleanup Methods
Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent and remove to safe place. Do NOT wash away into sewer (extra personal protection: self-contained breathing apparatus). /table/
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Spillage Disposal
Personal protection: filter respirator for organic vapours of low boiling point adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Do NOT wash away into sewer. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations.
Preventive Measures
Do not breathe gas, fumes, vapor, or spray. Avoid contact with eyes.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
For more Preventive Measures (Complete) data for TRIMETHYL BORATE (6 total), please visit the HSDB record page.
毒理信息
Environmental Fate
TERRESTRIAL FATE: Trimethyl borate is rapidly hydrolyzed to boric acid and methanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for trimethyl borate in the environment(SRC).
AQUATIC FATE: Trimethyl borate is rapidly hydrolyzed to boric acid and methanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for trimethyl borate in the environment(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), trimethyl borate, which has a vapor pressure of 136 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Trimethyl borate is rapidly hydrolyzed to boric acid and methanol in the presence of water(3,4). Hydrolysis would be expected to be the dominate fate process for trimethyl borate in the environment(SRC).
Signs and Symptoms
Cough. Sore throat.
Redness. Burning sensation.
Redness. Pain.
Burning sensation. Abdominal pain.
Soil Adsorption/Mobility
Trimethyl borate is rapidly hydrolyzed to boric acid and methanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for trimethyl borate in the environment(SRC). Adsorption to soil or suspended particles in water is not considered an important environmental fate for trimethyl borate(SRC).
Human Toxicity Excerpts
/SIGNS AND SYMPTOMS/ Inhalation: Cough, sore throat. Eyes: Redness, pain. Skin: Redness, burning sensation. /table/
/OTHER TOXICITY INFORMATION/ Harmful in contact with skin
Artificial Pollution Sources
Trimethyl borate's production and use as a solvent, flame retardant for textiles, dehydrating agent, brazing flux, wood preservative, catalyst, as well as it use as an intermediate for the synthesis of boron compounds and in scintillation counters(1-3) may result in its release to the environment through various waste streams(SRC). Trimethyl borate is used to treat wood where it is decomposed to boric acid upon contact with the moisture in the wood; the boric acid formed acts as a wood preservative preventing damage from wood-destroying fungi and insects(2).
Environmental Bioconcentration
Trimethyl borate is rapidly hydrolyzed to boric acid and methanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for trimethyl borate in the environment(SRC). Bioconcentration is not considered an important environmental fate for trimethyl borate(SRC).
Volatilization from Water/Soil
Trimethyl borate is rapidly hydrolyzed to boric acid and methanol in the presence of water(1,2). Hydrolysis would be expected to be the dominate fate process for trimethyl borate in the environment(SRC). Volatilization from water or soil is not considered an important environmental fate for trimethyl borate(SRC).
法规信息
State Drinking Water Guidelines
(CA) CALIFORNIA 1000 ug/L /Boron/
(NH) NEW HAMPSHIRE 630 ug/L /Boron/
(ME) MAINE 1,400 ug/L /Boron/
(MN) MINNESOTA 1,000 ug/L /Boron/
(WI) WISCONSIN 960 ug/L /Boron/
安全数据
- F
- 21
- wgk
- 3
- tsca
- TSCA listed
- 毒性
- LD50 orally in rats: 6.14 ml/kg (Smyth)
- RTECS号
- ED5600000
- 包装类别
- II
- 危险等级
- 3
- 存储类别
- 3 - Flammable liquids
- 安全说明
- 16-27-36/37/39-45-25-23-2-26-53
- 海关编码
- 29209085
- 自燃温度
- 305°C
- 危险品标志
- Xn,F,T
- 危险性类别
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 2Repr. 1BSTOT SE 1
- 危险类别码
- 11-21-23/25-36/37/38-10-36-61-60
- 毒害物质数据
- 121-43-7(Hazardous Substances Data)
- 危险品运输编号
- UN 2416
毒性防护
急性毒性口服- 大鼠 LD50: 13000 毫克/ 公斤; 口服- 小鼠 LD50:1290 毫克/ 公斤
刺激数据眼睛- 兔子 500 毫克 中度
包装储运
可燃性危险特性遇明火、高温、氧化剂易燃; 遇水产生有毒易燃硼化物气体
储运特性库房通风低温干燥; 与氧化剂分开存放
灭火剂干粉、干砂、二氧化碳、泡沫、1211灭火剂
化学与工业
用途与制造
Uses
Used as a flame retardant, welding and brazing flux, chemical intermediate, fungicide, and a solvent for waxes, resins, and oils; [HSDB]
Welding [Category: Weld]
As solvent for waxes, resins, oils; catalyst in manufacture of ketones; analysis of paint and varnish ingredients; as neutron detector gas in presence of a scintillation counter; as promoter of diborane reactions
Dehydrating agent; fungicide for citrus fruit
Intermediate in preparation of metal borohydrides
Azeotropic gaseous flux for welding and brazing
U.S. Production
2023: 1,000,000 - <8,500,000 lb
(1979) PROBABLY GREATER THAN 4.54X10+6 G
Production figures for trimethyl borate were given as 21.1 million pound in 1977(1), most of which is used captively in the production of sodium borohydride(2).
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
Boric acid (H3BO3), trimethyl ester: ACTIVE
US 2689259; US 2884439; US 2937195 (to Callery Chem)
US 2881227 and US 2884440 (to Olin Mathieson)
US 2855427 (to Am. Potash & Chem.)
US 2739979 ( to USAEC)
应用领域
用途钾(钠)硼氢的中间体。硫化剂、木材防腐剂、催化剂、胶凝剂、热稳定剂、氢焰灭火剂,也用于棉花阻燃处理和制备活性硅石,以及用作碳水化合物衍生物气相色谱分析试剂。
用途用作半导体的掺杂源,也用于高纯硼的制备
用途本品用作石蜡、树脂、石油的溶剂制造,酮的催化剂,还用于电子工业等
用途用作溶剂、脱氢剂、杀虫剂及用于有机合成、半导体硼扩散原
用途气相色谱分析衍生试剂。溶剂。制造酮类的催化剂。半导体硼扩散源。
制备方法
生产方法可用多种方法合成,如从吡啶-三氟化硼复合物制取,或用甲醇、氟化硼;甲醇、硼酸;原硅酸甲酯、卤化硼等制取。
上下游产品信息
上游原料
下游产品
试剂价格
- B20215 · 250ml
- 硼酸三甲酯, 99% Trimethyl borate, 99% — 337元
- 043765 · 100g
- 硼酸三甲酯, 99.99% (metals basis)Trimethyl borate, 99.99% (metals basis), Thermo Scientific Chemicals — 1123元
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