3-methylthiophene

• ChemBase编号: 74516
• 分子式: C5H6S
• 平均质量: 98.16614
• 单一同位素质量: 98.01902119
• SMILES: s1ccc(c1)C
• Canonical SMILES: Cc1cscc1
• InChI: InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3
• InChIKey: QENGPZGAWFQWCZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methylthiophene
• IUPAC传统名: 3-methylthiophene
• 别名: 3-甲基噻吩; 3-Thiotolene; β-Methylthiophene; 4-Methylthiophene; 3-Methyl-thiophen; Methyl-3-thiophene; 3-Methylthiophene; 3-Methylthiophene

登记号

• CAS号: 616-44-4
• EC号: 210-482-6
• MDL号: MFCD00005470
• Beilstein号: 1300
• PubChem SID: 24885916; 162039435; 24897259
• PubChem CID: 12024

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.2671092
• LogD (pH = 7.4): 2.2671092
• Log P: 2.2671092
• 摩尔折射率: 28.205 cm^3
• 极化性: 10.731002 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -69 °C(lit.); -69°C; -69°C
• 沸点: 114 °C/738 mmHg(lit.); 115-117°C; 115-117°C
• 闪点: 11°C; 11°C(51°F); 12 °C; 53.6 °F
• 密度: 1.016; 1.016 g/mL at 25 °C(lit.); 1.020
• 折射率: 1.519; 1.5200; n20/D 1.519(lit.); n20/D 1.520
• 蒸汽压: 42.4 mmHg ( 37.7 °C)

安全信息

• 保存注意事项: Flammable/Irritant/Keep Cold
• RTECS编号: XM9800000
• 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: 1993; UN1993
• 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; 11-20/22
• 安全公开号: 7-16-29-33-36; 9-16-29-33-36
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H302-H332; H225-H332
• GHS警示性声明: P210; P210-P241-P261-P303+P361+P353-P403+P235-P501A
• 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 1993 3/PG 2

产品相关信息

• 纯度: ≥98.0% (GC); 98%; 98+%
• 级别: purum
• Empirical Formula (Hill Notation): C5H6S

详细说明

MP Biomedicals - 05216792

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M84402

Application
导电聚合物前体。1
包装
25, 100 g in glass bottle

Toronto Research Chemicals - M330265

A thiophene derivative used as an electropolymerization monomer in conducting polymer research.

参考文献

• Waltman, R.J. et al.: J. Electrochem. Soc., 131, 740 (1984)
• Kankare, J. et al.: Synth. Metals, 55, 1395 (1984)