chlorodimethyl(pentafluorophenyl)silane

• ChemBase编号: 12059
• 分子式: C8H6ClF5Si
• 平均质量: 260.663756
• 单一同位素质量: 259.9847455
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[Si](C)(C)Cl
• Canonical SMILES: Fc1c(F)c(F)c(c(c1F)[Si](Cl)(C)C)F
• InChI: InChI=1S/C8H6ClF5Si/c1-15(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3
• InChIKey: PQRFRTCWNCVQHI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: chlorodimethyl(pentafluorophenyl)silane
• IUPAC传统名: chlorodimethyl(pentafluorophenyl)silane
• 别名: (五氟苯基)二甲基氯硅烷; 二甲基五氟苯基氯硅烷; 氯二甲基(五氟苯基)硅烷; Pentafluorophenyldimethylchlorosilane; (Pentafluorophenyl)dimethylchlorosilane; Chlorodimethyl(pentafluorophenyl)silane; (Pentafluorophenyl)dimethylsilyl chloride; (Perfluorophenyl)dimethylsilyl chloride; Flophemesyl chloride; (Chloro)(perfluorophenyl)dimethylsilane 98%; Pentafluorophenyldimethylsilyl chloride

登记号

• CAS号: 20082-71-7
• EC号: 243-506-9
• MDL号: MFCD00000500
• Beilstein号: 2858407
• PubChem SID: 24887047; 160975366
• PubChem CID: 88361

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.0314
• LogD (pH = 7.4): 3.0314
• Log P: 3.0314
• 摩尔折射率: 44.2528 cm^3
• 极化性: 17.890617 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 78-81°C/10mm; 88-90 °C/10 mmHg(lit.); 88-90°C/10mm
• 闪点: 167 °F; 203 °F; 75 °C; 95 °C; 95°C; 95°C(203°F)
• 密度: 1.381; 1.384; 1.384 g/mL at 25 °C(lit.)
• 折射率: 1.4470; 1.448; n20/D 1.448; n20/D 1.448(lit.)

安全信息

• 保存注意事项: Corrosive/Moisture Sensitive/Store under Argon; FLAMMABLE, CORROSIVE; Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2987; UN2987
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 34; 34-37
• 安全公开号: 23-26-36/37/39-45; 26-36/37/39-45
• TSCA收录: false; 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2987 8/PG 2

产品相关信息

• 纯度: ≥95.0%; ≥95.0% (GC); 96%; 97%
• 级别: for GC derivatization
• 线性分子式: C6F5Si(CH3)2Cl

详细说明

Sigma Aldrich - 226459

包装
1 g in ampule

Sigma Aldrich - 76750

Other Notes
在电子捕获气相色谱检测固醇和低脂肪醇中使用的高灵敏衍生化试剂1,2,3
包装
5 mL in glass bottle

参考文献

• GC reagent for detection of sterols at low concentration as flophemesyl derivatives, readily detected by electron capture: J. Chromat., 89, 225 (1974); 104, 351 (1975); 161, 111 (1978); Org. Mass Spectrom., 11, 671 (1978).