trimethyl[(trimethylsilyl)oxy]silane

• ChemBase编号: 103302
• 分子式: C6H18OSi2
• 平均质量: 162.37752
• 单一同位素质量: 162.08961826
• SMILES: C[Si](C)(C)O[Si](C)(C)C
• Canonical SMILES: C[Si](O[Si](C)(C)C)(C)C
• InChI: InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
• InChIKey: UQEAIHBTYFGYIE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: trimethyl[(trimethylsilyl)oxy]silane
• IUPAC传统名: hexamethyldisiloxane
• 别名: 六甲基二硅氧烷, NMR grade; 六甲基二硅氧烷 溶液; 六甲基二硅氧烷; 六甲基二硅氧烷; 聚二甲基硅氧烷; Hexamethyldisiloxane, NMR grade; Hexamethyldisiloxane solution; HMDSO; Hexamethyldisiloxane; Hexamethyldisiloxane; Poly(dimethylsiloxane); Oxybis(trimethylsilane); HEXAMETHYLDISILOXANE; 2,7-DIMETHOXYNAPHTHALENE; HEXAMETHLDISILOXANE; Bis(trimethylsilyl) ether; Bis(trimethylsilyl) oxide; 1,1,1,3,3,3-Hexamethyldisiloxane; Belsil DM 0.65; DC 0.65cs200; Dow Corning 200/0.65; Dow Corning OS 10; Ethoxytrimethylsilane-hexamethyldisiloxane Copolymer; Glipoxan; HMDS; HX 18; KF 96L0.65; LS 7130; NSC 43346; OS 10; PSF-0.65cSt; SF 0.65; SH 200-0.65CS; SH 200-0.65cSt; SWS-F 221; Volasil DM 0.65; Volasil DM 0.65SP

登记号

• CAS号: 3469-26-9; 107-46-0
• EC号: 203-492-7
• MDL号: MFCD00008265
• Beilstein号: 1736258
• PubChem SID: 24859617; 24852329; 24882080; 162091322; 24870583
• PubChem CID: 24764
• Chemspider ID: 23150
• 医学主题词(MeSH): Hexamethyldisiloxane
• 美国药典/FDA物质标识码: D7M4659BPU
• 维基百科标题: Hexamethyldisiloxane

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.0278
• LogD (pH = 7.4): 3.0278
• Log P: 3.0278
• 摩尔折射率: 36.0308 cm^3
• 极化性: 18.337494 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Colourless liquid
• 熔点: -59 °C(lit.); -59°C; -67°C; -67°C
• 沸点: 100 - 101°C; 100-101°C; 101 °C; 101 °C(lit.); 99°C
• 闪点: 0 °C; -1(1) °C; -11 °C; 12.2 °F; -2.7°C; -2°C(28°F); 32 °F
• 密度: 0.76 g/ml; 0.764; 0.764 g cm^-3; 0.764 g/mL at 20 °C(lit.)
• 折射率: 1.377; 1.3770; n20/D 1.377; n20/D 1.377(lit.); n20/D 1.378
• 蒸汽压: 42 mm Hg at 25 °C(extrapolated)
• 蒸汽密度: >1 (vs air)
• 粘度: 0.65 cSt(25 °C)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: JM9237000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 1114; 1993; UN1993
• 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
• 澳大利亚Hazchem: 3YE
• 危险公开号: 11-50/53; 11-51/53; 45-46-11-36/38-48/23/24/25-51/53-65; R:10; R11
• 安全公开号: 16-61; 53-16-26-45-61-62; 9-16-60-61; S:9-16-29; S16
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 128
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07; GHS08; GHS09
• GHS警示词: Danger
• 主要危害: Highly flammable liquid and vapour; Causes serious eye irritation
• NFPA704:
  

  4

  1

  0
• GHS危险声明: H225-H304-H315-H319-H340-H350-H372-H411; H225-H400-H410; H225-H411
• GHS警示性声明: P201-P210-P273-P301 + P310-P305 + P351 + P338-P308 + P313; P210-P273; P210-P273-P403
• 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 1114 3/PG 2; UN 1993 3/PG 2

产品相关信息

• 纯度: ≥98%; ≥98.5% (GC); ≥99.5%; ≥99.5% (GC); 98+%; 99.7%
• 浓度: 25% in benzene-d6 (99.6 atom % D)
• 级别: for NMR spectroscopy; NMR grade; NMR reference standard; puriss.
• NMR tube O.D. × L: 5 mm × 8 in.
• 线性分子式: (CH3)3SiOSi(CH3)3

详细说明

MP Biomedicals - 02151249

Used for synthesis of benzoyl chlorides.
1 ml = approx. 0.76 g

MP Biomedicals - 05207554

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 469300

包装
50, 250 mL in poly bottle

Sigma Aldrich - 326739

包装
100 g in glass bottle

Sigma Aldrich - 205389

包装
5, 100, 500 mL in glass bottle

Sigma Aldrich - 52630

Other Notes
用于羧酸的温和硅烷化1,2；用作合成亚磺酸酯的氯离子受体3

Sigma Aldrich - 611921

Features and Benefits
29Si 灵敏度

Toronto Research Chemicals - H294215

A silicon based compound that can be used to create potentially biocompatible materials. Used as a monomer in the synthesis of long chain polysiloxane structures. Used in the methylation of mercury(II) salts.

参考文献

• Radeva, E. et al.: J. Optoelec. Adv. Mat., 11, 1432 (2009)
• Gandhiraman, R.P. et al.: Plama Proc. Polym., 11, 1432 (2009)
• Watanabe, N. et al.: Ecotoxic. Env. Safety, 11, 174 (2009)
• Silylates primary and sec-alcohols and phenols, in the presence of p-TsOH as catalyst. If the substrate contains acid-sensitive groups, PPTS can be used: Tetrahedron Lett., 4261 (1978). See Appendix 4.
• Reacts with P₂O₅ to give trimethylsilyl polyphosphate ('PPSE'), a milder and more convenient dehydrating agent then polyphosphoric acid. For examples, and related reagents, see Phosphorus(V) oxide, A13348.
• In the presence of FeCl₃, reacts with benzotrichlorides to give substituted benzoyl chlorides in good yields: J. Chem. Soc., Chem. Commun., 808 (1977).