thiophene

• ChemBase编号: 92715
• 分子式: C4H4S
• 平均质量: 84.13956
• 单一同位素质量: 84.00337113
• SMILES: s1cccc1
• Canonical SMILES: c1cccs1
• InChI: InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
• InChIKey: YTPLMLYBLZKORZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: thiophene
• IUPAC传统名: thiophene
• 别名: 硫代呋喃; 硫杂茂; 噻吩; Thiofuran; Thiole; Thiophene; Thiacyclopentadiene; Thiophene

登记号

• CAS号: 110-02-1
• EC号: 203-729-4
• MDL号: MFCD00005413
• Beilstein号: 103222
• 默克索引号: 149353
• PubChem SID: 24867678; 24845982; 24900115; 162079413
• PubChem CID: 8030
• CHEBI ID: 30856
• CHEMBL: 278958
• Chemspider ID: 7739
• 美国药典/FDA物质标识码: SMB37IQ40B
• 维基百科标题: Thiophene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.7536877
• LogD (pH = 7.4): 1.7536877
• Log P: 1.7536877
• 摩尔折射率: 23.1638 cm^3
• 极化性: 8.973654 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

• 外观: colorless liquid
• 熔点: -38 °C(lit.); -38°C; -38°C
• 沸点: 83-85°C; 84 °C(lit.); 84°C
• 闪点: -1 °C; -1 °C; -1.1°C; 30.2 °F; -9°C(16°F)
• 自燃点: 743 °F
• 密度: 1.051; 1.051 g/mL at 25 °C(lit.); 1.051 g/mL, liquid; 1.06 g/ml; 1.066
• 折射率: 1.5280; 1.5287; 1.529; n20/D 1.529; n20/D 1.529(lit.)
• 蒸汽压: 40 mm Hg at 12.5 °C; 40 mmHg ( 12.5 °C)
• 蒸汽密度: 2.9 (vs air)
• 粘度: 0.8712 cP at 0.2 °C; 0.6432 cP at 22.4 °C

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Irritant/Highly Flammable
• RTECS编号: XM7350000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2414; UN2414
• 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
• 澳大利亚Hazchem: 3WE
• 危险公开号: 11-20/21/22-36/38-52/53; 11-20/22-37/38-41; 11-22-37/38-41; 45-46-11-20/22-37/38-41; R:11-22-36/37/38
• 安全公开号: 16-26-29-33-36/37-61; 26-36; 53-16-26-39-45; S:16-25-26-29-36/37/39; S:16-25-26-36/37/39
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 130
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS08
• GHS警示词: Danger
• NFPA704:
  

  3

  2
• 爆炸极限: 12.5 %
• GHS危险声明: H225-H301-H311-H332-H315-H319-H402-H412; H225-H302-H315-H318-H331-H335; H225-H302-H315-H318-H331-H335-H340-H350
• GHS警示性声明: P201-P210-P261-P280-P305 + P351 + P338-P311; P210-P261-P280-P305 + P351 + P338-P311; P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-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 2414 3/PG 2

产品相关信息

• 纯度: ≥99%; ≥99.5% (GC); 99%
• 级别: analytical standard
• 包装: ampule of 1000 mg
• 杂质: ~0.2% benzene
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C4H4S

详细说明

MP Biomedicals - 02156884

1 ml = approx. 1.06 g

MP Biomedicals - 05218761

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T31801

包装
5, 100, 500 g in glass bottle

参考文献

• Metallation at the 2-position occurs readily with n-BuLi in ether (not readily in benzene). The 2,5-dilithio-derivative can be prepared in the presence of TMEDA: J. Chem. Soc., Perkin 1, 887 (1977), or with the superbasic combination of n-BuLi with KO-t-Bu: Synthesis, 316 (1988).