2,2,3,3,4,4,4-heptafluorobutan-1-ol

• ChemBase编号: 6522
• 分子式: C4H3F7O
• 平均质量: 200.0548424
• 单一同位素质量: 200.00721226
• SMILES: C(O)C(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: OCC(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
• InChIKey: WXJFKAZDSQLPBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,4-heptafluorobutan-1-ol
• IUPAC传统名: 2,2,3,3,4,4,4-heptafluorobutan-1-ol
• 别名: 全氟丁醇; 2,2,3,3,4,4,4-七氟-1-丁醇; 2,2,3,3,4,4,4-Heptafluoro-1-butanol; Perfluoropropyl carbinol; 2,2,3,3,4,4,4-Heptafluoro-1-butanol; 2,2,3,3,4,4,4-Heptafluorobutan-1-ol; (Perfluoropropyl)methanol; 1H,1H-Heptafluorobutan-1-ol 98%; PERFLUORO-1,1-DIHYDROBUTANOL

登记号

• CAS号: 375-01-9
• EC号: 206-782-1
• MDL号: MFCD00004674
• Beilstein号: 1761907
• PubChem SID: 160969829; 24873908; 24895467
• PubChem CID: 9776

理论计算性质

• Acid pKa: 12.614922
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.8378046
• LogD (pH = 7.4): 1.8378019
• Log P: 1.8378046
• 摩尔折射率: 23.0474 cm^3
• 极化性: 8.840368 Å^3
• 极化表面积: 20.23 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: 95-97°C; 95-97°C; 96-97 °C(lit.); 96-97°C
• 闪点: 25 °C; 25°C; 25°C(77°F); 77 °F
• 密度: 1.596; 1.6 g/mL at 25 °C(lit.); 1.600
• 折射率: 1.300; 1.3000; n20/D 1.3(lit.)

安全信息

• 保存注意事项: Flammable/Harmful/Irritant; IRRITANT, FLAMMABLE
• RTECS编号: EL4130000
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1987; UN1987
• 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): 3; III
• 危险公开号: 10-20-36/37/38; 10-36/37/38
• 安全公开号: 16-26; 23-26-36/37
• TSCA收录: true; 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319-H335; H226-H332-H315-H319-H335-H303
• GHS警示性声明: P260-P280H-P305+P351+P338; 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 1987 3/PG 3

产品相关信息

• 纯度: ≥95.0% (GC); 98%
• 级别: purum
• 杂质: ≤1% water
• 线性分子式: CF3CF2CF2CH2OH

详细说明

MP Biomedicals - 05213013

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC4390

Intermediate for speciality coating systems; acrylate and methacrylate esters are available.

Sigma Aldrich - H1604

包装
5, 25 g in glass bottle