ethynylcyclopropane

• ChemBase编号: 16361
• 分子式: C5H6
• 平均质量: 66.10114
• 单一同位素质量: 66.04695019
• SMILES: C(#C)C1CC1
• Canonical SMILES: C#CC1CC1
• InChI: InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2
• InChIKey: NPTDXPDGUHAFKC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethynylcyclopropane
• IUPAC传统名: ethynylcyclopropane
• 别名: 乙炔基环丙烷; 环丙基乙炔; 乙炔基环丙烷 溶液; 环丙基乙炔 溶液; Cyclopropylacetylene; Ethynylcyclopropane; Cyclopropylacetylene; Ethynylcyclopropane; Cyclopropylacetylene; Ethynylcyclopropane solution; Cyclopropylacetylene solution; Cyclopropyl acetylene

登记号

• CAS号: 6746-94-7
• MDL号: MFCD02181090
• PubChem SID: 24884177; 24880094; 160979668
• PubChem CID: 138823

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.258139
• LogD (pH = 7.4): 1.258139
• Log P: 1.258139
• 摩尔折射率: 21.4142 cm^3
• 极化性: 8.126301 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

• 沸点: 51 °C; 51°C/760mm; 51°C; 79-80 °C; 79-80°C
• 闪点: 1.4 °F; -17 °C; -17°C; -17°C(-1°F); -20 °C; -4 °F
• 密度: 0.781; 0.781 g/mL at 25 °C; 0.797
• 折射率: 1.429; 1.4480; n20/D 1.429; n20/D 1.4480
• 疏水性(logP): 1.367

安全信息

• 保存注意事项: Highly Flammable/Harmful/Keep Cold; IRRITANT, FLAMMABLE
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1294; 1993; UN3295
• 德国WGK号: 2
• 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: 4-11-38-41-52/53; 63-4-11-38-41-48/20-52/53-65-67
• 安全公开号: 16-26-36/37/39-61-62; 2-9-16-26-33-37/39-61; 9-16-26-33-37/39-61
• TSCA收录: false; 否
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H304-H315-H318-H336-H361d-H373-H412; H225-H315-H318-H412; H225-H318-H315-H412
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P403+P235-P501A; P210-P261-P273-P280-P301 + P310-P305 + P351 + P338; P210-P273-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1294 3/PG 2; UN 1993 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95%; 97%; 98%
• 浓度: 70 wt. % in toluene
• 堆密度: 0.797 g/mL
• 线性分子式: (C3H5)C≡CH
• Empirical Formula (Hill Notation): C5H6

详细说明

Sigma Aldrich - 563374

包装
100 mL in Sure/Seal™

Sigma Aldrich - 663018

包装
5, 25 g in glass bottle