2-bromo-1,1-diethoxyethane

• ChemBase编号: 85606
• 分子式: C6H13BrO2
• 平均质量: 197.07022
• 单一同位素质量: 196.00989166
• SMILES: BrCC(OCC)OCC
• Canonical SMILES: BrCC(OCC)OCC
• InChI: InChI=1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
• InChIKey: LILXDMFJXYAKMK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromo-1,1-diethoxyethane
• IUPAC传统名: 2-bromo-1,1-diethoxyethane
• 别名: 溴乙缩醛二乙醇; 2-溴-1,1-二乙氧基乙烷; 溴乙缩醛; 溴乙醛缩二乙醇; NSC 8036; Bromoacetaldehyde Diethyl Acetal; 2-Bromo-1,1-diethoxy-ethane; 1,1-Diethoxy-2-bromoethane; 1-Bromo-2,2-diethoxyethane; Bromacetal; α-Bromoacetaldehyde Diethyl Acetal; 2-bromo-1,1-diethoxyethane; 2-Bromo-1,1-diethoxyethane; 2-Bromoacetaldehyde diethyl acetal; Bromoacetal; Bromoacetaldehyde diethyl acetal; BROMOACETAL

登记号

• CAS号: 2032-35-1
• EC号: 217-989-1
• MDL号: MFCD00000214
• Beilstein号: 635754
• PubChem SID: 24849880; 24847591; 162072722
• PubChem CID: 74852

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.967053
• LogD (pH = 7.4): 1.967053
• Log P: 1.967053
• 摩尔折射率: 40.6176 cm^3
• 极化性: 16.008902 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Methanol
• 外观: Colourless Oil
• 沸点: 66-67 °C/18 mmHg(lit.); 66-67°C/18mm; 66-67°C/18mm
• 闪点: 149 °F; 51°C; 61°C(142°F); 65 °C
• 密度: 1.270; 1.31; 1.31 g/mL at 25 °C(lit.)
• 折射率: 1.439; 1.4390; n20/D 1.439(lit.); n20/D 1.440

安全信息

• 保存注意事项: Flammable/Toxic/Irritant/Light Sensitive/Moisture Sensitive/Store under Argon/Keep Cold; Moisture Sensitive
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 1992; UN2810
• 德国WGK号: 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 3; II
• 危险公开号: 22-23-36/37/38; 22-23-36/38
• 安全公开号: 26-36/37-45
• TSCA收录: 是
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H330; H301-H330-H315-H319-H335-H227
• GHS警示性声明: P260-P284-P301 + P310-P305 + P351 + P338-P310; P280H-P305+P351+P338-P309-P310
• 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 1992 3/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥90% (GC); 97%; 98%
• 级别: technical
• 其他组分: ~0.2% potassium carbonate as stabilizer
• 线性分子式: BrCH2CH(OC2H5)2

详细说明

MP Biomedicals - 05205358

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 123986

Application
合成结构单元1,2
General description
储存时颜色可变深
包装
1 kg in glass bottle
5, 100, 500 g in glass bottle

Sigma Aldrich - 16061

Other Notes
溴乙醛的前体，用于腺嘌呤和胞嘧啶核苷衍生物改性的有效试剂1

参考文献

• Precursor of the easily-polymerized ketene diethyl acetal, by dehydrobromination with KO-t-Bu: Org. Synth. Coll., 3, 506 (1965).
• Useful intermediate for the preparation of other ɑ-heterosubstituted acetaldehyde acetals, e.g. the corresponding thiol by reaction with sodium polysulfide and reductive cleavage with Na in liquid ammonia: Org. Synth. Coll., 4, 295 (1963).