triphenyl phosphate

• ChemBase编号: 130024
• 分子式: C18H15O4P
• 平均质量: 326.283061
• 单一同位素质量: 326.07079559
• SMILES: O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Canonical SMILES: O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• InChI: InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
• InChIKey: XZZNDPSIHUTMOC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: triphenyl phosphate
• IUPAC传统名: triphenyl phosphate
• 别名: 磷酸三苯酯 溶液; 磷酸三苯酯 溶液; 磷酸三苯酯溶液; 磷酸三苯酯; Triphenyl phosphate solution; Triphenyl phosphate; Triphenyl phosphate; Phosphoric Acid Triphenyl Ester; Celluflex TPP; Disflamoll TP; NSC 57868; Phenyl Phosphate; Phoscon FR 903N; Phosflex TPP; Reofos TPP; S 4; Sumilizer TPP; TP; TPP; TPPA; TTP; Triphenoxyphosphine Oxide; Wako TPP

登记号

• CAS号: 115-86-6
• EC号: 204-112-2
• MDL号: MFCD00003031
• Beilstein号: 1888236
• 默克索引号: 149742
• PubChem SID: 24889786; 24868016; 24854472; 24882069; 24879221; 24871702; 24846710; 162224309
• PubChem CID: 8289
• CHEBI ID: 35033
• CHEMBL: 454511
• Chemspider ID: 7988
• 维基百科标题: Triphenyl_phosphate

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.0876536
• LogD (pH = 7.4): 5.0876536
• Log P: 5.0876536
• 摩尔折射率: 87.4316 cm^3
• 极化性: 34.795486 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: organic solvents
• 外观: colourless liquid
• 熔点: 48-50 °C; 48-50 °C(lit.); 48-52°C
• 沸点: 244 °C 10 mm Hg; 244 °C/10 mmHg(lit.); 247-250°C/11mm
• 闪点: 1.4 °F; -17 °C; -19 °C; -2.2 °F; 220 °C; 223°C(433°F); 428 °F
• 密度: 1.184 g/mL
• 蒸汽压: 1.3 mmHg ( 200 °C)

安全信息

• RTECS编号: TC8400000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1090; 1888; 2398; 3077; UN3077
• 德国WGK号: 1; 2; 3
• 联合国危险货物等级: 3; 6.1; 9
• 联合国危险货物包装类别(PG): 2; 3; III
• 危险公开号: 11-36-51/53-66-67; 22-38-40-48/20/22-51/53; 38-52/53; 50/53
• 安全公开号: 16-26-61; 36/37-61; 60-61; 61
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• 主要危害: harmful
• GHS危险声明: H225-H319-H336; H302-H315-H351-H373; H315; H315-H351-H373; H400; H400-H410
• GHS警示性声明: P210-P261-P305 + P351 + P338; P273; P273-P391-P501A; P281
• 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; Eyeshields, Gloves
• RID/ADR: UN 1090 3/PG 2; UN 1888 6.1/PG 3; UN 2398 3/PG 2; UN 3077 9/PG 3
• 欧盟补充危害声明: Repeated exposure may cause skin dryness or cracking.
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (GC); ≥99%; 98%
• 浓度: 0.0485 M; 0.0485 M in acetone-d6 (99.9 atom % D); 0.0485 M in chloroform-d (99.8 atom % D); 500 μg/mL in methyl tert-butyl ether
• 级别: analytical standard; NMR reference standard; purum
• 同位素纯度: 99.8 atom % D
• 包装: ampule of 1 mL; ampule of 1000 mg
• 适用性: suitable for 507 per US EPA
• 杂质: phenol, none detected
• NMR tube O.D. × L: 10 mm × 8 in.; 5 mm × 8 in.
• 特征: standard type internal
• NMR tube wall thickness: 0.24 mm , ultra-thin wall
• 核磁管外径: 10 mm; 3 mm; 5 mm
• 线性分子式: (C6H5O)3PO

详细说明

Sigma Aldrich - 733792

Features and Benefits
31P sensitivity

Sigma Aldrich - 241288

包装
50 g in glass bottle

Sigma Aldrich - 733741

Features and Benefits
31P sensitivity

Sigma Aldrich - 708968

Features and Benefits
31P 灵敏度

Sigma Aldrich - 611735

Features and Benefits
31P 灵敏度
Quantity
10 毫米×8 英寸管，含 3.175mL

Sigma Aldrich - 551392

Features and Benefits
31P 灵敏度
Quantity
5 毫米×8 英寸管，含 0.70mL

Sigma Aldrich - 736368

Features and Benefits
31P sensitivity

Toronto Research Chemicals - T808990

Triphenyl Phosphate is used in the insecticidal composition. Also acts as a flame retardant.

参考文献

• Stumpf, N., et al.: J. Econ. Entomol., 94, 1577 (2001)
• Ay, R., et al.: J. Pest. Sci., 78, 139 (2001)
• Kang, C., et al.: J. Appl. Entomol., 130, 377 (2001)
• Xia, X. et al.: J. Elec. Soc., 159, A1834 (2001)
• Reaction with a secondary alcohol in the presence of a base, e.g. quinoline, gives the diphenyl phosphate ester of the alcohol. This undergoes thermal elimination in sulfolane or NMP to provide the corresponding alkene. The method has clear advantages in terms of yield and toxicity over analogous routes to alkenes, such as the Chugaev xanthate thermolysis or heating the alcohol in HMPA: Synthesis, 1300 (1995). See also Diphenyl phosphorochloridate, A13546.