bromo(methoxy)methane

• ChemBase编号: 75252
• 分子式: C2H5BrO
• 平均质量: 124.9645
• 单一同位素质量: 123.95237678
• SMILES: O(CBr)C
• Canonical SMILES: COCBr
• InChI: InChI=1S/C2H5BrO/c1-4-2-3/h2H2,1H3
• InChIKey: JAMFGQBENKSWOF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bromo(methoxy)methane
• IUPAC传统名: methane, bromomethoxy-
• 别名: 溴甲基甲基醚; 溴甲基甲醚; Bromo(methoxy)methane; Bromomethyl methyl ether; Bromomethyl methyl ether; bromo(methoxy)methane; BMME; Methoxymethyl bromide

登记号

• CAS号: 13057-17-5
• MDL号: MFCD00000171
• Beilstein号: 1730853
• PubChem SID: 24849953; 162040170
• PubChem CID: 83093

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.6137889
• LogD (pH = 7.4): 0.6137889
• Log P: 0.6137889
• 摩尔折射率: 20.4685 cm^3
• 极化性: 8.11769 Å^3
• 极化表面积: 9.23 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: 86-87°C; 87 °C(lit.)
• 闪点: 26°C(78°F); 27 °C; 80.6 °F
• 密度: 1.531; 1.531 g/mL at 25 °C(lit.)
• 折射率: 1.4520-1.4600; n20/D 1.456(lit.)
• 疏水性(logP): 0.565

安全信息

• 保存注意事项: Harmful/Flammable/Moisture Sensitive
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1992; UN1992
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; II
• 危险公开号: 10-20/21/22-36/37/38-40
• 安全公开号: 16-26-36/37; 26-36/37
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H226-H312-H315-H319-H332-H335-H351; H331-H302-H312-H315-H319-H335-H226-H351
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338
• 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%; 95%; tech. 90%
• 级别: technical grade
• 线性分子式: BrCH2OCH3

详细说明

Sigma Aldrich - 161756

包装
5, 25 g in glass bottle

参考文献

• Reagent for protection of OH groups as their methoxymethyl (MOM) ethers. The group can be introduced in the presence of a base such as N-ethyldiisopropylamine: Tetrahedron Lett., 26, 6461 (1986); 30, 1971 (1989). Aryl acetates are converted directly into aryl methoxymethyl ethers in the presence of NaOMe in DMF: Synth. Commun., 29, 2217 (1999).
• A method for the ɑ-methylenation of lactones involves alkylation of the ɑ-lithio derivative, followed by elimination of methanol: J. Am. Chem. Soc., 102, 3964 (1980).
• For a review of the use of ɑ-monohalo ethers in synthesis, see: Synthesis, 1 (1995).