methyl fluoro(octadeca-9,12,15-trien-1-yl)phosphinate

• ChemBase编号: 153634
• 分子式: C19H34FO2P
• 平均质量: 344.4442242
• 单一同位素质量: 344.22804518
• SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCCP(=O)(OC)F
• Canonical SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCCP(=O)(OC)F
• InChI: InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3
• InChIKey: MEHJVKGETWKOKY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl fluoro(octadeca-9,12,15-trien-1-yl)phosphinate
• IUPAC传统名: methyl fluoro(octadeca-9,12,15-trien-1-yl)phosphinate
• 别名: (9Z,12Z,15Z)-Octadecatrienyl-phosphonofluoridic acid; Methyl linolenyl fluorophosphonate

登记号

• EC号: 201-185-2
• MDL号: MFCD02259365
• PubChem SID: 162247773
• PubChem CID: 5353763

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.2847123
• LogD (pH = 7.4): 6.2847123
• Log P: 6.2847123
• 摩尔折射率: 102.3582 cm^3
• 极化性: 38.662792 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: methyl acetate solution
• 闪点: -16 °C; 3.2 °F

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1231
• 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
• 危险公开号: 11-36-66-67
• 安全公开号: 16-26-29-33
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H319-H336
• GHS警示性声明: P210-P261-P305 + P351 + P338
• 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 1231 3/PG 2
• 欧盟补充危害声明: Repeated exposure may cause skin dryness or cracking.
• 保存温度: -70°C

产品相关信息

• 纯度: ≥98%
• 运输包装: dry ice
• Empirical Formula (Hill Notation): C19H34FO2P

详细说明

Sigma Aldrich - M2814

Biochem/physiol Actions
An analog of MAFP which has been widely studied as an inhibitor of phospholipases, FAAH, and as a cannabinoid receptor ligand.
Preparation Note
To change the solvent, simply evaporate the methyl acetate under a gentle stream of nitrogen and immediately add the solvent of choice.