[3-(trifluoromethyl)phenyl]hydrazine

• ChemBase编号: 9283
• 分子式: C7H7F3N2
• 平均质量: 176.1390896
• 单一同位素质量: 176.05613289
• SMILES: c1cc(cc(c1)NN)C(F)(F)F
• Canonical SMILES: NNc1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C7H7F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4,12H,11H2
• InChIKey: RSESUCWJKLHXEZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(trifluoromethyl)phenyl]hydrazine
• IUPAC传统名: [3-(trifluoromethyl)phenyl]hydrazine
• 别名: 3-(三氟甲基)苯肼; 3-(Trifluoromethyl)phenylhydrazine; 3-Hydrazinobenzotrifluoride; 3-Hydrazino-alpha,alpha,alpha-trifluorotoluene; 3-(Trifluoromethyl)phenylhydrazine 97%; 3-(Trifluoromethyl)phenylhydrazine; alpha,alpha,alpha-Trifluoro-m-tolylhydrazine; (3-(TrifluoroMethyl)phenyl)hydrazine

登记号

• CAS号: 368-78-5
• EC号: 206-713-5
• MDL号: MFCD00025093
• Beilstein号: 640075
• PubChem SID: 24861559; 160972590
• PubChem CID: 98650

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.0577643
• LogD (pH = 7.4): 2.2398424
• Log P: 2.2427368
• 摩尔折射率: 41.7384 cm^3
• 极化性: 14.084188 Å^3
• 极化表面积: 38.05 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

• 沸点: 139-140°C/30mm; 139-140°C/30mm; 140°C/30mm; 80-83 °C/9 mmHg(lit.)
• 闪点: 107 °C; 107°C; 107°C(224°F); 224.6 °F
• 密度: 1.348; 1.348 g/mL at 25 °C(lit.)
• 折射率: 1.504; 1.5040; n20/D 1.504(lit.)

安全信息

• 保存注意事项: Harmful/Irritant/Keep Cold/Store under Argon; IRRITANT, IRRITANT-HARMFUL
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-36/37/38
• 安全公开号: 26-37/39; 9-26-36/37
• TSCA收录: false; 否
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H311-H332-H315-H319; H302-H312-H315-H319-H332-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P361-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

产品相关信息

• 纯度: 90%; 95%; 95+%; 97%
• 级别: technical grade
• 线性分子式: CF3C6H4NHNH2

详细说明

Sigma Aldrich - 348228

包装
1 g in glass bottle