bis(propan-2-yl)amine

• ChemBase编号: 75091
• 分子式: C6H15N
• 平均质量: 101.19
• 单一同位素质量: 101.12044949
• SMILES: N(C(C)C)C(C)C
• Canonical SMILES: CC(NC(C)C)C
• InChI: InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3
• InChIKey: UAOMVDZJSHZZME-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(propan-2-yl)amine
• IUPAC传统名: diisopropylamine
• 别名: 二异丙胺; DIPA; Bis(prop-2-yl)amine; N-(Prop-2-yl)propan-2-amine; Bis(isopropyl)amine 99%; N-(1-Methylethyl)-2-propanamine; DIISOPROPYLAMINE; Diisopropylamine

登记号

• CAS号: 108-18-9
• EC号: 203-558-5
• MDL号: MFCD00008862
• Beilstein号: 605284
• 默克索引号: 143196
• PubChem SID: 24870705; 24863920; 24864094; 162040009
• PubChem CID: 7912
• Chemspider ID: 7624
• 美国药典/FDA物质标识码: BR9JLI40NO
• 维基百科标题: Diisopropylamine

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.8835524
• LogD (pH = 7.4): -1.6228405
• Log P: 1.3538874
• 摩尔折射率: 33.0282 cm^3
• 极化性: 13.342089 Å^3
• 极化表面积: 12.03 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

• 外观: Colorless liquid
• 熔点: -61 °C (-78 °F). Also reported as -96 °C (-140.8 °F).; -61 °C(lit.); -61°C; -61.00°C (212.15K); -61°C
• 沸点: 82.85 - 84.85°C (356 - 358 K); 83-84°C; 83-84°C; 84 °C (183 °F); 84 °C(lit.); 84°C
• 闪点: 1.4 °F; -17 °C; -17°C; -6.1°C; -7°C(19°F)
• 自燃点: 315 °C; 316 °C (600 °F); 599 °F
• 密度: 0.717 at 22 °C; 0.72 at 22 °C (water = 1) (16,17); 0.717 g/ml; 0.718; 0.722 g/mL at 25 °C(lit.); 0.772; 722 mg mL^-1
• 折射率: 1.3920; 1.392–1.393; n20/D 1.392; n20/D 1.392(lit.); n20/D 1.393
• 蒸汽压: 50 mmHg ( 20 °C); 6.67 kPa (50 mm Hg), 8 kPa (60 mm Hg) (12), 9.33 kPa (70 mm Hg) (all reported at 20 deg); 6.7 kPa (at 20 °C)
• 蒸汽密度: 3.48 (air = 1); 3.5 (vs air)
• pKa: 40
• pKb: 54
• 气味: Fishy, ammoniacal
• 标准摩尔燃烧焓 (ΔcH^o298): -4.3363–-4.3313 MJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -173.6–-168.4 kJ mol^-1

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Highly Flammable/Corrosive/Harmful/Lachrymatory/Air Sensitive/Store under Argon
• RTECS编号: IM4025000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); X
• 联合国危险货物编号: 1158; UN1158
• 德国WGK号: 2
• 联合国危险货物等级: 3; 8
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 3WE
• 危险公开号: 11-20/22-34; R:11-20/22-34; r11, r20/22, r34
• 安全公开号: 16-26-36/37/39-45; S:16-26-45-36/37/39; s1/2, s16, s26, s36/37/39
• 欧盟危险货物分类: FC
• 欧盟危险识别号(EUHIN): 8A
• 美国ERG指导号: 132
• TSCA收录: 是
• 欧盟危险品索引: 612-129-00-5
• GHS危险品标识: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS警示词: DANGER; Danger
• NFPA704:
  

  3

  2

  0
• 半数致死量: >10 g kg^-1 (dermal, rabbit); 770 mg kg^-1 (oral, rat)
• 爆炸极限: 1.1–8.5%; 8.5 %
• GHS危险声明: 225, 302, 314, 332; H225-H302 + H332-H314; H225-H302-H314-H332; H225-H314-H318-H302-H332
• GHS警示性声明: 210, 280, 305+351+338, 310; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P305 + P351 + P338-P310
• 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 1158 3/PG 2

产品相关信息

• 纯度: ≥98.0%; ≥98.0% (GC); ≥99%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); 99%; 99.95%; 99+%
• 级别: analytical standard; puriss. p.a.; purum; SAJ first grade
• 杂质: ≤0.5% water
• 痕量阳离子: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.5 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• 提纯方法: redistillation
• 线性分子式: (CH3)2CHNHCH(CH3)2

详细说明

MP Biomedicals - 02157754

1 ml = approx. 0.72 g
NOT FOR EXPORT

MP Biomedicals - 05202034

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 527947

Legal Information
Arkema 产品

Sigma Aldrich - 386464

包装
1 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 471224

包装
100, 500 mL in glass bottle
18 L in steel drum
2, 4×2, 2.5, 4×2.5 L in glass bottle

参考文献

• Precursor of the sterically-hindered strong base lithium diisopropylamide (LDA), which has a greater "kinetic-basicity" than some thermodynamically stronger bases, e.g. alkyllithiums, and therefore finds wide application in lithiation reactions. LDA is a particularly useful base for the preparation of carboxylic acid dianions and ester enolates. For a review, see: Synthesis, 521 (1982).
• LDA is generally prepared in situ by reaction of diisopropylamine with an alkyllithium; numerous examples in Org. Synth. Coll., 6, 7, 8, 9, and subsequent annual volumes. For discussion of methods for preparation, including Li metal in the presence of an aromatic hydrocarbon as electron-acceptor, see: Synthesis, 463 (1979); see also (Li in ether): Liebigs Ann. Chem., 1471 (1980).
• LDA cleaves 1,3-dithiolanes (ethylene dithioacetals) to the carbonyl compounds: Synthesis, 1087 (1982):
  
• 1,3-Dithianes are not cleaved under these conditions.