1-methylcyclopent-1-ene

• ChemBase编号: 110915
• 分子式: C6H10
• 平均质量: 82.1436
• 单一同位素质量: 82.07825032
• SMILES: CC1=CCCC1
• Canonical SMILES: CC1=CCCC1
• InChI: InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
• InChIKey: ATQUFXWBVZUTKO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methylcyclopent-1-ene
• IUPAC传统名: cyclopentene, 1-methyl-
• 别名: 1-甲基环戊烯; 1-Methylcyclopentene; 1-Methyl-1-cyclopentene; 1-METHYL-1-CYCLOPENTENE

登记号

• CAS号: 693-89-0
• EC号: 211-762-0
• MDL号: MFCD00001397
• Beilstein号: 1900640
• PubChem SID: 162096976; 24896892; 24884734
• PubChem CID: 12746

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.1042829
• LogD (pH = 7.4): 2.1042829
• Log P: 2.1042829
• 摩尔折射率: 28.4036 cm^3
• 极化性: 10.853355 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: -142°C
• 沸点: 72 °C/754 mmHg(lit.); 73-75°C; 75-77 °C(lit.)
• 闪点: -17°C(1°F); -19 °C; -2.2 °F
• 密度: 0.778 g/mL at 20 °C(lit.); 0.779; 0.78 g/mL at 25 °C(lit.)
• 折射率: 1.4310; n20/D 1.432

安全信息

• 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: 3295; UN3295
• 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; 11-65; R:36/37/38
• 安全公开号: 16-62; 7-33-60; S:20-25-26-37/39
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS08
• GHS警示词: Danger
• GHS危险声明: H225; H225-H304
• GHS警示性声明: P210-P241-P280-P303+P361+P353-P403+P235-P501A; P210-P301 + P310-P331
• 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 3295 3/PG 2

产品相关信息

• 纯度: ≥96.0% (GC); 98%
• 级别: purum
• 线性分子式: C5H7CH3
• Empirical Formula (Hill Notation): C6H10

详细说明

MP Biomedicals - 05216958

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M39806

包装
5, 25 g in ampule

参考文献

• Undergoes [2+2] cycloaddition with dichloroketene (generated in situ from trichloroacetyl chloride) to give a dichlorobicylo[3.2.0]heptanone derivative. Treatment with n-BuLi, then acetic anhydride gives a ?-chloroenol acetate, RuO₄ cleavage of which gives the cis-dicarboxylic acid: Org. Synth. Coll., 8, 377 (1993):