2-methoxyacetyl chloride

• ChemBase编号: 88363
• 分子式: C3H5ClO2
• 平均质量: 108.5236
• 单一同位素质量: 107.99780708
• SMILES: ClC(=O)COC
• Canonical SMILES: COCC(=O)Cl
• InChI: InChI=1S/C3H5ClO2/c1-6-2-3(4)5/h2H2,1H3
• InChIKey: JJKWHOSQTYYFAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxyacetyl chloride
• IUPAC传统名: methoxy-acetyl chloride
• 别名: 甲氧基乙酸氯; 甲氧基乙酰氯; Methoxyacetyl chloride; 2-METHOXY 5-ACETYLBENZYL CHLORIDE; Methoxyacetic acid chloride; Methoxyacetyl chloride

登记号

• CAS号: 38870-89-2
• EC号: 254-169-2
• MDL号: MFCD00000728
• Beilstein号: 1740244
• PubChem SID: 24883674; 162075324; 24897347
• PubChem CID: 96623

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.1358624
• LogD (pH = 7.4): 0.1358624
• Log P: 0.1358624
• 摩尔折射率: 22.9556 cm^3
• 极化性: 9.032625 Å^3
• 极化表面积: 26.3 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

• 熔点: <-40°C
• 沸点: 112°C; 112-113 °C(lit.); 112-113°C; 112-113°C
• 闪点: 28°C(82°F); 35 °C; 35°C; 95 °F
• 密度: 1.185; 1.187; 1.187 g/ml; 1.187 g/mL at 25 °C(lit.); 1.19 g/mL at 20 °C
• 折射率: 1.4240; n20/D 1.419(lit.); n20/D 1.42

安全信息

• 保存注意事项: Corrosive/Flammable/Lachrymatory/Moisture Sensitive/Keep Cold; Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); X
• 联合国危险货物编号: 2920; UN2920
• 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: 10-20-34; 10-34-36/37; R:10
• 安全公开号: 26-36/37/39-45; S:9-16-29
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H226-H314-H335; H331-H314-H318-H226
• GHS警示性声明: P261-P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-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 2920 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (T); 97%; 97%, stab. with ca 0.3% magnesium oxide
• 级别: purum
• 其他组分: ~0.3% magnesium oxide light as stabilizer
• 线性分子式: CH3OCH2COCl

详细说明

MP Biomedicals - 05221491

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M9653

包装
1, 10 g in glass bottle

Sigma Aldrich - 64975

Caution
储存时可变为深黄绿色
Other Notes
氯甲基化试剂1

参考文献

• Reagent for the chloromethylation of aromatics under Friedel-Crafts conditions, avoiding the use of chloromethyl methyl ether: Tetrahedron Lett., 24, 1933 (1983). For a study of the kinetics of chloromethylation of benzene and toluene in the presence of SnCl₄, see: J. Org. Chem., 62, 2694 (1997). Compare Methoxyacetic acid, B22917.
• Has also been used for the protection of alcohols as methoxyacetate esters, formed in the presence of pyridine, and cleaved using methanolic or aqueous ammonia ca. 20x faster than acetate: Tetrahedron Lett., 4273 (1968). Selective cleavage with Yb(OTf)₃: J. Org. Chem., 61, 4491 (1996), or ethanolamine in IPA: J. Org. Chem., 60, 331 (1995), have also been reported.