N,N-dimethylacetamide

• ChemBase编号: 103204
• 分子式: C4H9NO
• 平均质量: 87.12036
• 单一同位素质量: 87.06841391
• SMILES: CN(C)C(=O)C
• Canonical SMILES: CC(=O)N(C)C
• InChI: InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
• InChIKey: FXHOOIRPVKKKFG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethylacetamide
• IUPAC传统名: dimethylacetamide
• 别名: N,N-二甲基乙酰胺, HPLC级; N,N-二甲基乙酰胺; N,N-二甲基乙酰胺-d9; Dimethylacetamide; DMA; N,N-Dimethylacetamide, HPLC Grade; N,N-DIMETHYLACETAMIDE; N,N-DIMETHYLACETAMIDE, HPLC/SPECTRO GRADE; N,N-DIMETHYLACETAMIDE, ANHYDROSOLV GRADE; N,N-DIMETHYLACETAMIDE, CERTIFIED GRADE; N,N-Dimethylacetamide; N,N-Dimethylacetamide-d9

登记号

• CAS号: 127-19-5; 116057-81-9
• EC号: 204-826-4
• MDL号: MFCD00008686
• Beilstein号: 1737614
• 默克索引号: 143227
• PubChem SID: 24856426; 24864224; 24864225; 24850431; 24856380; 162090444; 24849477; 24874272; 24886390; 24893416
• PubChem CID: 31374
• CHEMBL: 11873
• Chemspider ID: 29107
• 医学主题词(MeSH): dimethylacetamide
• 美国药典/FDA物质标识码: JCV5VDB3HY
• 维基百科标题: Dimethylacetamide

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.5829362
• LogD (pH = 7.4): -0.58293617
• Log P: -0.58293617
• 摩尔折射率: 24.2593 cm^3
• 极化性: 9.313932 Å^3
• 极化表面积: 20.31 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Miscible in water
• 外观: Colorless liquid; Liquid
• 熔点: -20 °C; -20 °C(lit.); -20°C; -20°C
• 沸点: 164.5-166 °C(lit.); 164-166 °C(lit.); 165 °C at 1013 hPa; 165.05°C (438.2K); 165-166°C
• 闪点: 158 °F; 63 °C (closed cup); 63 °C; 70 °C; 70°C(158°F)
• 自燃点: 400 °C (DIN 51794); 490 °C; 914 °F
• 密度: .94 g/cm^3 at 20 °C; 0.937 g/mL at 25 °C(lit.); 0.940; 1.033 g/mL at 25 °C; 937 mg mL^-1
• 折射率: 1.4375; 1.4385; n20/D 1.437; n20/D 1.437(lit.); n20/D 1.438; n20/D 1.438(lit.)
• 蒸汽压: 1.76 hPa at 20 °C; 2 mmHg ( 25 °C); 300 Pa; 4 mmHg ( 38 °C)
• 蒸汽密度: 3 (vs air); 3.01 (air = 1)
• 分配系数: -0.253
• 紫外吸收波长: 270 nm; λ: 270 nm Amax: 1.0; λ: 270 nm Amax: 1.00; λ: 280 nm Amax: 0.3; λ: 280 nm Amax: 0.30; λ: 290 nm Amax: 0.15; λ: 300 nm Amax: 0.1; λ: 310 nm Amax: 0.05; λ: 320 nm Amax: 0.03; λ: 360 nm Amax: 0.005; λ: 360 nm Amax: 0.01; λ: 360-400 nm Amax: 0.01
• 粘度: 1.956 mPa s
• 气味: Ammoniacal
• 热容: 178.2 J K^-1 mol^-1
• 标准摩尔燃烧焓 (ΔcH^o298): -2.5835–-2.5805 MJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -300.1 kJ mol^-1
• 吸光度: 1.00

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• RTECS编号: AB7700000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 德国WGK号: 1; 3
• 危险公开号: 20/21-36/37/38-62; 61-20/21; 61-20/21-36; R:20/21-61; r61, r20/21
• 安全公开号: 23-26-36; 53-45; S:45-53; s45
• TSCA收录: 是
• 欧盟危险品索引: 616-011-00-4
• GHS危险品标识: GHS exclamation mark; GHS health hazard; GHS07; GHS08
• GHS警示词: DANGER; Danger; Warning
• NFPA704:
  

  2

  2

  0
• 半数致死量: 2.24 g kg^-1 (dermal, rabbit); 4.3 g kg^-1 (oral, rat)
• 爆炸极限: 1.8 %, 100 °F; 1.8–11.5%; 11.5 %, 160 °F
• GHS危险声明: 312, 332, 360; H312 + H332-H319-H360D; H312-H315-H319-H332-H335-H361; H312-H332-H360D; H360-H312-H332-H227
• GHS警示性声明: 280, 308+313; P201-P280-P305 + P351 + P338-P308 + P313; P201-P280-P308 + P313; P210-P261-P280-P302+P352-P405-P501A; P261-P280-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

产品相关信息

• 纯度: ≥99%; ≥98.0% (GC); ≥99%; ≥99% (GC); ≥99.0%; ≥99.5% (GC); ≥99.8% (GC); ≥99.9%; ≥99.9% (GC); 99%; 99.5+%; 99.8%
• 级别: absolute; analytical standard; anhydrous; B&J Brand (product of Burdick & Jackson); CHROMASOLV® Plus; for HPLC; for peptide synthesis; for UV-spectroscopy; HPLC; puriss. p.a.; purum; ReagentPlus®; SAJ first grade; SAJ special grade; spectrophotometric grade
• 同位素纯度: 99 atom % D
• 适用性: GC-Headspace tested; in accordance for amine test
• 蒸发残渣: <0.001%; ≤0.001%; ≤0.002%; ≤0.005%
• 杂质: <0.005% water; <0.030% water; <0.050% water; ≤0.005% water; ≤0.02% water; ≤0.03% water; ≤0.1% 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: ≤0.1 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)
• 品质说明: over molecular sieve (H2O ≤0.01%)
• Mol. Weight: mol wt 96.20
• λ: 1 cm path, H2O reference; H2O reference
• 线性分子式: CD3CON(CD3)2; CH3CON(CH3)2

详细说明

MP Biomedicals - 05202370

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150928

Purity: 99+%
1 ml = approx. 0.94 g
Cryoprotective properties

Sigma Aldrich - 17308

包装
1, 2.5 L in glass bottle

Sigma Aldrich - 185884

包装
2, 2.5 L in glass bottle
500, 6×500 mL in glass bottle
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ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 522414

包装
1, 5 g in ampule

Sigma Aldrich - 38838

General description
可以成本价获得专用手册 (85475)。
Other Notes
可能实行销售限制

Sigma Aldrich - 38839

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

Sigma Aldrich - 271012

包装
1, 6×1, 2 L in Sure/Seal™
View returnable container options.
100, 12×100 mL in Sure/Seal™
200 L in Pure-Pac™ 1

Sigma Aldrich - 270555

包装
1, 2, 4×4 L in glass bottle
100 mL in glass bottle
18 L in VerSA-Flow™
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CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - D137510

包装
1, 2, 2.5, 4 L in glass bottle
20 L in steel drum
500, 6×500 mL in glass bottle
Legal Information
DuPont 产品
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 44901

General description
Watch a 6-minute presentation that demonstrates the effective use of our High Purity Solvents for GC Headspace Analysis
Suitability
GC-HS 测试用
Protocols & Applications
The Utility of Headspace Grade Solvents for the Analysis of Organic Volatile Impurities

Sigma Aldrich - 154806

包装
1, 2 L in glass bottle

参考文献

• Morris, J., et al., Biotechniques, 35: 956-968.
• Useful solvent in halex fluorinations of chloroarenes; compare Sulfolane, A13466.
• See also Sodium hydride, 13431, for warning.
• Dipolar aprotic solvent, cf N,N-Dimethylformamide, A13547, Dimethyl sulfoxide, A13280, 1-Methyl-2-pyrrolidinone, A12260.
• Undergoes Vilsmeier-type reactions (compare DMF), with reactive substrates, introducing an acetyl group: Chem. Ber., 97, 616 (1964).
• Reacts with alkyl and aryl Grignard reagents to give methyl ketones in good yields: Synthesis, 228 (1984).
• In the presence of triflic anhydride and 2,4,6-collidine, forms a highly-reactive keteniminium triflate, which undergoes a [2+2] cycloaddition reaction with terminal alkenes to give, after hydrolysis a 3-alkylcyclobutanone: J. Am. Chem. Soc., 107, 2192 (1985); Org. Synth. Coll., 8, 306 (1993):