3-methylbutan-1-ol; phenol; trichloromethane

• ChemBase编号: 153097
• 分子式: C12H19Cl3O2
• 平均质量: 301.63706
• 单一同位素质量: 300.04506289
• SMILES: CC(C)CCO.c1ccc(cc1)O.C(Cl)(Cl)Cl
• Canonical SMILES: Oc1ccccc1.ClC(Cl)Cl.OCCC(C)C
• InChI: InChI=1S/C6H6O.C5H12O.CHCl3/c7-6-4-2-1-3-5-6;1-5(2)3-4-6;2-1(3)4/h1-5,7H;5-6H,3-4H2,1-2H3;1H
• InChIKey: ZYWFEOZQIUMEGL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methylbutan-1-ol; phenol; trichloromethane
• IUPAC传统名: chloroform; isoamyl alcohol; phenol
• 别名: 苯酚 - 氯仿 - 异戊醇混合物; Phenol - chloroform - isoamyl alcohol mixture

登记号

• CAS号: 136112-00-0
• MDL号: MFCD00133763
• PubChem SID: 162247237
• PubChem CID: 66587205

理论计算性质

• Acid pKa: 10.01615
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.6696674
• LogD (pH = 7.4): 1.6686368
• Log P: 1.6696805
• 摩尔折射率: 28.0389 cm^3
• 极化性: 10.938309 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 174.2 °F; 79 °C
• 密度: 1.12 g/mL at 20 °C; 1.28 g/mL at 20 °C; 1.29 g/mL at 20 °C
• 紫外吸收波长: λ: 330 nm Amax: 0.2; λ: 405 nm Amax: 0.1; λ: 510 nm Amax: 0.1
• pH值: 4-5(H2O-phase, after extraction with H2O, 1:1); 7.7-8.3(H2O-phase, after extraction with H2O, 1:1)

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2810
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 23/24/25-34-40-48/20/21/22-68
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS05; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H301-H311-H314-H330-H341-H351-H373; H301-H312-H314-H330-H341-H351-H373
• GHS警示性声明: P260-P280-P284-P301 + P310-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 级别: for molecular biology
• 杂质: DNases, none detected; phosphatases, none detected; proteases, none detected; RNases, none detected
• λ: neat
• 产品线: BioUltra
• abs.: absorption/360 nm cut-off

详细说明

Sigma Aldrich - 77618

Other Notes
Large- and small-scale phenol extractions1
Physical form
mixture of phenol; chloroform; isoamyl alcohol in the ratio of 49.5:49.5:1 (v/v/v); saturated with 100 mM TRIS pH 8.0; contains ~0.1% 8-hydroxyquinoline

Sigma Aldrich - 77617

Other Notes
In the extraction of DNA for the generation of DNA minisatellite fingerprints1
Physical form
mixture of phenol; chloroform; isoamyl alcohol in the ratio of 25:24:1 (v/v/v); saturated with 100 mM TRIS pH 8.0; contains ~0.1% 8-hydroxyquinoline

Sigma Aldrich - 77619

Physical form
苯酚、氯仿和异戊醇按 125:24:1 (v/v/v) 的比率混合的混合物；加有 2M NaOAc（pH 4）使其饱和