bis(2-methoxyethyl)(trifluoro-$l^{4}-sulfanyl)amine

• ChemBase编号: 9793
• 分子式: C6H14F3NO2S
• 平均质量: 221.2410696
• 单一同位素质量: 221.06973435
• SMILES: N(S(F)(F)F)(CCOC)CCOC
• Canonical SMILES: COCCN(S(F)(F)F)CCOC
• InChI: InChI=1S/C6H14F3NO2S/c1-11-5-3-10(4-6-12-2)13(7,8)9/h3-6H2,1-2H3
• InChIKey: APOYTRAZFJURPB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(2-methoxyethyl)(trifluoro-$l^{4}-sulfanyl)amine; bis(2-methoxyethyl)(trifluoro-λ^4-sulfanyl)amine
• IUPAC传统名: bis(2-methoxyethyl)(trifluoro-$l^{4}-sulfanyl)amine; bis(2-methoxyethyl)(trifluoro-λ^4-sulfanyl)amine
• 别名: 双(2-甲氧基乙基)氨基三氟化硫 溶液; Deoxo-Fluor® 溶液; 双(2-甲氧基乙基)氨基三氟化硫; Bis(2-methoxyethyl)aminosulfur trifluoride; Bis(2-methoxyethyl)aminosulfur trifluoride solution; Deoxo-Fluor® solution; Bis(2-methoxyethyl)aminosulfur trifluoride; Deoxo-Fluor®; Bis(2-methoxyethyl)aminosulphur trifluoride (50% solution in toluene); Deoxo-Fluor; Bis(2-methoxyethyl)aminosulphur trifluoride (50% solution in THF)

登记号

• CAS号: 202289-38-1
• MDL号: MFCD01321415
• PubChem SID: 24889983; 24889985; 24872877; 160973100
• PubChem CID: 2734690

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.20042366
• LogD (pH = 7.4): 0.20042366
• Log P: 0.20042366
• 摩尔折射率: 46.2401 cm^3
• 极化性: 17.993706 Å^3
• 极化表面积: 21.7 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: clear yellow liquid
• 沸点: >80°C(dec); >80(dec.)°C
• 闪点: <10 °C; <50 °F
• 密度: 1.03-1.05 g/mL at 20 °C; 1.2; 1.2 g/mL at 25 °C(lit.)

安全信息

• 保存注意事项: KEEP COLD, CORROSIVE, WATER REACTIVE; Toxic/Corrosive/Flammable/Moisture Sensitive/Store under Argon/Keep Cold; Toxic/Corrosive/Highly Flammable/Moisture Sensitive/Store under Argon/Keep Cold
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 3286
• 德国WGK号: 3
• 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: 11-14-19-23/25-29-35-37; 14-23/25-29-35; 63-11-14-23/25-29-35-48/20-65
• 安全公开号: 16-26-36/37/39-45; 16-26-36/37/39-45-62; 23-26-36/37/39-43-45
• TSCA收录: false
• GHS危险品标识: GHS02; GHS05; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H261-H301 + H331-H304-H314-H336-H361d-H373; H225-H261-H301 + H331-H314-H335; H261-H301-H314-H331
• GHS警示性声明: P210-P231 + P232-P261-P280-P301 + P310-P422; P231 + P232-P261-P280-P301 + P310-P305 + P351 + P338-P422
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3286 3/PG 2; UN REST
• 欧盟补充危害声明: Contact with water liberates toxic gas., May form explosive peroxides., Reacts violently with water.; Contact with water liberates toxic gas., Reacts violently with water.
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95%
• 浓度: ~50% in toluene (NMR); 50% in THF
• 线性分子式: (CH3OCH2CH2)2NSF3
• Empirical Formula (Hill Notation): C6H14F3NO2S

详细说明

Apollo Scientific Ltd - PC6001

Deoxo-FluorR (Registered trademark of Air Products), 50% solution in THF. Stable alternative to DAST.

Apollo Scientific Ltd - PC5471

Deoxo-FluorR (Registered trademark of Air Products), 50% solution in Toluene. Stable alternative to DAST.

Sigma Aldrich - 94324

Other Notes
具有高热稳定性的氟化剂7,8,9,10
Application
Reactant for:
• Fluorination reactions1
• Preparation of fluorinated catechols via Umpolung based nucleophilic deoxyfluorination2
• Preparation of imidazole derivatives as CXCR3 antagonists3
• Ring expansion reactions4
• Synthesis of acyl azides from carboxylic acids5
• Aldehydes or ketones from carboxylic acids and Grignard reagents via in situ generation of Weinreb amides6
法律信息
Deoxo-Fluor 注册商标 Air Products & Chemicals, Inc.

Sigma Aldrich - 494119

Other Notes
有关 Deoxo-Fluor® 和 DAST 与有机化合物亲核氟化反应近期工作的综述，请参阅 Synthesis, 2002, 17, 2561。1
通过酰基氟的中间性，羧酸一瓶转化为酰胺。
包装
5, 25, 100 g in poly bottle
法律信息
Deoxo-Fluor 注册商标 Air Products & Chemicals, Inc.

Sigma Aldrich - 94327

Other Notes
具有高热稳定性的氟化剂7,8,9
包装
10, 50 mL in PFA/FEP btl
Application
Reactant for:
• Fluorination reactions1
• Preparation of fluorinated catechols via Umpolung based nucleophilic deoxyfluorination2
• Preparation of imidazole derivatives as CXCR3 antagonists3
• Ring expansion reactions4
• Synthesis of acyl azides from carboxylic acids5
• Aldehydes or ketones from carboxylic acids and Grignard reagents via in situ generation of Weinreb amides6
法律信息
Deoxo-Fluor 注册商标 Air Products & Chemicals, Inc.