2-methylprop-2-enoyl chloride

• ChemBase编号: 91436
• 分子式: C4H5ClO
• 平均质量: 104.5349
• 单一同位素质量: 104.00289246
• SMILES: O=C(C(=C)C)Cl
• Canonical SMILES: CC(=C)C(=O)Cl
• InChI: InChI=1S/C4H5ClO/c1-3(2)4(5)6/h1H2,2H3
• InChIKey: VHRYZQNGTZXDNX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methylprop-2-enoyl chloride
• IUPAC传统名: methacryloyl chloride
• 别名: 甲基丙烯酰氯; 2-Methylprop-2-enoyl chloride; Methacryloyl chloride 97%; methacryloyl chloride; 2-Methyl-2-propenoyl chloride; Methacryloyl chloride

登记号

• CAS号: 920-46-7
• EC号: 213-058-9
• MDL号: MFCD00000716
• Beilstein号: 878175
• PubChem SID: 24874306; 162078135
• PubChem CID: 13528
• 维基百科标题: Methacryloyl_chloride

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.4618274
• LogD (pH = 7.4): 1.4618274
• Log P: 1.4618274
• 摩尔折射率: 25.507 cm^3
• 极化性: 9.822731 Å^3
• 极化表面积: 17.07 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

• 溶解度: Reacts in water
• 熔点: -60°C; -60°C
• 沸点: 95-96 °C; 95-96 °C(lit.); 95-96°C; 95-96°C
• 闪点: 12 °C; 12.8°C; 2°C(35°F); 53.6 °F
• 密度: 1.07; 1.07 g/mL; 1.07 g/mL at 25 °C(lit.); 1.08 g/mL at 20 °C
• 折射率: 1.4440; n20/D 1.442(lit.); n20/D 1.444

安全信息

• 保存注意事项: Moisture Sensitive; Very Toxic/Flammable/Corrosive/Harmful/Lachrymatory/Moisture Sensitive/Store at -20°C
• RTECS编号: OZ5791000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 3383; UN3383
• 德国WGK号: 2
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 1; I
• 危险公开号: 11-22-26-34; 11-22-26-34-43-52/53
• 安全公开号: 16-26-28-29-33-36/37/39-45; 16-26-28-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H225-H301-H330-H314-H318; H225-H302-H314-H317-H330-H412
• GHS警示性声明: P210-P260-P273-P280-P284-P305 + P351 + P338; P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A
• 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 3383 6.1/PG 1
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥97.0% (GC); 80%; 90%; 97%; 97%, stab. with ca 400ppm 4-methoxyphenol
• 级别: purum; technical grade
• 杂质: ≤1000 mg/kg total sulfur (as SO4)
• 其他组分: ~0.02% 2,6-di-tert-butyl-4-methylphenol as stabilizer; ~200 ppm monomethyl ether hydroquinone as stabilizer; 200 ppm phenothiazine as stabilizer
• 品质说明: dist.
• 线性分子式: CH2=C(CH3)COCl

详细说明

Sigma Aldrich - 320374

包装
带聚合物涂层瓶包装

Sigma Aldrich - 523216

包装
1 L in Sure/Seal™
100 mL in Sure/Seal™