2,3-dichloroprop-1-ene

• ChemBase编号: 89993
• 分子式: C3H4Cl2
• 平均质量: 110.96986
• 单一同位素质量: 109.96900549
• SMILES: ClCC(=C)Cl
• Canonical SMILES: ClCC(=C)Cl
• InChI: InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2
• InChIKey: FALCMQXTWHPRIH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dichloroprop-1-ene
• IUPAC传统名: 2,3-dichloropropene
• 别名: 2,3-二氯丙烯; 2,3-二氯-1-丙烯; 2,3-Dichloro-1-propene; 2-Chloroallyl chloride; 2,3-Dichloroprop-1-ene 97%

登记号

• CAS号: 78-88-6
• EC号: 201-153-8
• MDL号: MFCD00000943
• Beilstein号: 1361491
• PubChem SID: 162076848; 24862353; 24862352; 24894096
• PubChem CID: 6565

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.8040277
• LogD (pH = 7.4): 1.8040277
• Log P: 1.8040277
• 摩尔折射率: 25.1912 cm^3
• 极化性: 9.734236 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

• 熔点: -83°C; -83°C
• 沸点: 93-96°C; 94 °C(lit.); 94°C
• 闪点: 10 °C; 10°C; 10°C(50°F); 50 °F
• 密度: 1.204 g/mL at 25 °C(lit.); 1.209
• 折射率: 1.4611; 1.4620; n20/D 1.461; n20/D 1.461(lit.)
• 蒸汽压: 44 mmHg ( 20 °C)
• 蒸汽密度: 3.8 (vs air)

安全信息

• 保存注意事项: Highly Flammable/Harmful/Keep Cold
• RTECS编号: UC8400000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2047; UN2047
• 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): 2; II
• 危险公开号: 11-20/21/22-37/38-41-52/53-68; 11-20/21/22-37/38-41-68-52/53
• 安全公开号: 2-9-16-23-26-36/37/39-61; 9-16-23-26-36/37/39-61
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07; GHS08
• GHS警示词: Danger
• 爆炸极限: 7.8 %
• GHS危险声明: H225-H302-H312-H315-H318-H332-H335-H341-H412; H225-H318-H315-H341-H302-H312-H332-H335-H412; H302-H312-H315-H318-H331-H335-H341-H412
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P273-P280-P305 + P351 + P338; P261-P273-P280-P305 + P351 + P338-P311
• 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 2047 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (GC); ≥99.0% (GC); 98%
• 级别: puriss.; purum
• 其他组分: ~0.05% 2,6-di-tert-butyl-4-methylphenol
• 线性分子式: ClCH2CCl=CH2

详细说明

Sigma Aldrich - D72603

包装
25, 100 g in glass bottle

Sigma Aldrich - 36319

Caution
储存时可变为褐色

参考文献

• Reductive elimination with Zn powder gives allene free from methylacetylene: Org. Synth. Coll., 5, 22 (1973).
• Electron-acceptor, with concomitant reduction to allene, in a high-yield coupling of aryl Grignard reagents to symmetrical biaryls: Tetrahedron Lett., 29, 1293 (1988):