trimethyl borate

• ChemBase编号: 107761
• 分子式: C3H9BO3
• 平均质量: 103.91276
• 单一同位素质量: 104.06447455
• SMILES: COB(OC)OC
• Canonical SMILES: COB(OC)OC
• InChI: InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3
• InChIKey: WRECIMRULFAWHA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: trimethyl borate
• IUPAC传统名: trimethyl borate
• 别名: 硼酸三甲酯，共沸物; 三甲氧基硼烷; 硼酸甲酯; 硼酸三甲酯; 硼酸甲酯-11B; 硼酸三甲酯-11B; Trimethyl borate, azeotrope; Boric acid trimethyl ester; Methyl borate; Trimethyl borate; METHYL BORATE; Trimethyl borate; Methyl borate-11B; Trimethyl borate-11B

登记号

• CAS号: 121-43-7; 3349-42-6
• EC号: 204-468-9
• MDL号: MFCD00008346
• Beilstein号: 1697939
• 默克索引号: 149712
• PubChem SID: 24868093; 24868738; 24866770; 162093779; 24868739; 24868324
• PubChem CID: 8470
• CHEBI ID: 38913
• Chemspider ID: 8157
• 维基百科标题: Trimethyl_borate

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.6751
• LogD (pH = 7.4): 1.6751
• Log P: 1.6751
• 摩尔折射率: 21.1407 cm^3
• 极化性: 10.3501005 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: decomposes in water
• 外观: clear liquid; Liquid
• 熔点: -34; -34 °C(lit.); -34°C
• 沸点: 52-54°C; 53-58 °C; 67-69°C; 68 - 69°C; 68-69 °C(lit.); 68-69°C
• 闪点: 16 °F; 17.6 °F; -8 °C; -8°C(17°F); -9 °C; -9°C(16°F)
• 密度: 0.883 g/mL at 25 °C; 0.885; 0.915; 0.924 g/mL at 25 °C(lit.); 0.932 g/ml; 0.932 g/mL at 20 °C(lit.)
• 折射率: 1.3610; n20/D 1.346(lit.); n20/D 1.3460; n20/D 1.358; n20/D 1.358(lit.)
• 蒸汽密度: 3.59 (vs air)

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: ED5600000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993; 2416; UN1993; UN2416
• 德国WGK号: 1; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 10-21; 11; 11-21; 11-21-23/25-36/37/38; 11-23/24/25-39/23/24/25; R:10-21
• 安全公开号: 16; 16-27-36/37/39-45; 2-23-25; 23-25; 7-16-23-25-36/37-45; S:23-25
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H312; H225-H312-H319; H226-H312; H300-H330-H312-H370-H226
• GHS警示性声明: P210-P241-P303+P361+P353-P302+P352-P403+P235-P501A; P210-P261-P262; P210-P280-P305 + P351 + P338; P210-P301+P310-P303+P361+P353-P304+P340-P320-P330-P405-P501A; P280
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2; UN 2416 3/PG 2

产品相关信息

• 纯度: ≥98%; ≥99.0% (GC); ≥99.5%; ≥99.999% (purity based on trace metal impurities); 70%; 70% azeotrope with methanol; 98% (CP); 99%; 99.99% (metals basis); 99.9995+% (metals basis)
• 浓度: in methanol
• 级别: purum
• 同位素纯度: 99 atom % 11B
• 提纯方法: redistillation
• 线性分子式: (CH3O)311B; B(OCH3)3
• Empirical Formula (Hill Notation): C3H9BO3

详细说明

Sigma Aldrich - 452920

包装
100, 500 mL in Sure/Seal™
2 L in Sure/Seal™
Legal Information
Rohm & Haas 制造

Sigma Aldrich - 427616

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 447218

包装
25, 4×25, 100 mL in Sure/Seal™

Sigma Aldrich - 443999

包装
1 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 452939

包装
2 L in Sure/Seal™
Legal Information
Rohm & Haas 制造

参考文献

• For an example of the low temperature reaction with Grignard reagents to give boronic acids., see: Org. Synth. Coll., 4, 68 (1963).