tris(trifluoromethyl)-1,3,5-triazine

• ChemBase编号: 9731
• 分子式: C6F9N3
• 平均质量: 285.0699288
• 单一同位素质量: 284.994851
• SMILES: C(F)(F)(F)c1nc(C(F)(F)F)nc(n1)C(F)(F)F
• Canonical SMILES: FC(c1nc(nc(n1)C(F)(F)F)C(F)(F)F)(F)F
• InChI: InChI=1S/C6F9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15
• InChIKey: LSGBKABSSSIRJF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(trifluoromethyl)-1,3,5-triazine
• IUPAC传统名: tris(trifluoromethyl)-1,3,5-triazine
• 别名: 2,4,6-三(三氟甲基)-1,3,5-三嗪; Tris(trifluoromethyl)-1,3,5-triazine; 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine; 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine

登记号

• CAS号: 368-66-1
• EC号: 206-709-3
• MDL号: MFCD00042436
• Beilstein号: 302339
• PubChem SID: 160973038; 24868092; 24887353
• PubChem CID: 9715

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.6230903
• LogD (pH = 7.4): 4.6230903
• Log P: 4.6230903
• 摩尔折射率: 39.4254 cm^3
• 极化性: 13.230035 Å^3
• 极化表面积: 38.67 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 95°C; 95-96°C; 95-96°C; 98.3-98.5 °C/748 mmHg(lit.)
• 闪点: >110°C; 113 °C; 235.4 °F; None
• 密度: 1.596; 1.596 g/mL at 25 °C
• 折射率: 1.322; 1.3220; 1.3231; n20/D 1.313(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant
• RTECS编号: XZ2800000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 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: 20/21/22-36/37; 20-36/37/38
• 安全公开号: 26-36; 9-23-26-36/37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H312-H319-H332-H335; H332-H315-H319-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 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 2810 6.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.5% (GC); 97%; 98%; 99%
• 级别: analytical standard, for mass spectrometry
• Empirical Formula (Hill Notation): C6F9N3

详细说明

Apollo Scientific Ltd - PC7920

Mass Spectrometry standard

Sigma Aldrich - 443980

包装
5 g in glass bottle