N-methylformamide

• ChemBase编号: 104339
• 分子式: C2H5NO
• 平均质量: 59.0672
• 单一同位素质量: 59.03711379
• SMILES: CNC=O
• Canonical SMILES: CNC=O
• InChI: InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
• InChIKey: ATHHXGZTWNVVOU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methylformamide
• IUPAC传统名: methylformamide
• 别名: 甲基甲酰胺; N-甲基甲酰胺; N-Methylformamide; Methylformide; NMF; N-Formylmethylamine; N-METHYLFORMAMIDE

登记号

• CAS号: 123-39-7
• EC号: 204-624-6
• MDL号: MFCD00003280
• Beilstein号: 1098352
• 默克索引号: 146076
• PubChem SID: 24896763; 24870945; 162091584
• PubChem CID: 31254
• CHEBI ID: 7438
• CHEMBL: 9240
• Chemspider ID: 28994
• KEGG ID: C11489
• 医学主题词(MeSH): methylformamide
• 维基百科标题: N-Methylformamide

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.8553111
• LogD (pH = 7.4): -0.855311
• Log P: -0.855311
• 摩尔折射率: 14.8721 cm^3
• 极化性: 5.658248 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true
• Acid pKa: 16.54298

分子性质

理化性质

• 溶解度: Miscible in water
• 外观: Colourless liquid
• 熔点: -4 °C(lit.); -4°C; -4°C; -40°C
• 沸点: 180-185°C; 181-185°C; 182.55°C (455.7K); 198-199 °C(lit.)
• 闪点: 111 °C; 231.8 °F; 232 °F; 98.8°C; 98°C(208°F)
• 密度: 1.011 g mL^-1; 1.011 g/ml; 1.011 g/mL at 25 °C(lit.); 1.018
• 折射率: 1.432; 1.4320; n20/D 1.432; n20/D 1.432(lit.)
• 蒸汽压: 3.08 x 10-2 mm Hg (estimated) at 25 °C
• 气味: fishy, ammoniacal
• 热容: 125.2 J K^-1 mol^-1

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: LQ3000000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 61-21; 61-21.1; R:22-36; r61, r21
• 安全公开号: 53.1-45; 53-45; S:26-36/37/39; s45
• TSCA收录: 是
• 欧盟危险品索引: 616-056-00-X
• GHS危险品标识: GHS exclamation mark; GHS health hazard; GHS07; GHS08
• GHS警示词: Danger
• 半数致死量: 4 g kg^-1 (oral, rat)
• GHS危险声明: 312, 360; H312-H360; H360-H312
• GHS警示性声明: 280, 308+313; P201-P280-P308 + P313; P280-P281-P302+P352-P322-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: ≥99.0% (GC); 99%
• 级别: purum
• 线性分子式: HCONHCH3

详细说明

MP Biomedicals - 05214425

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155549

(N-Formylmethylamine) 1 ml = approx. 1.01 g

Sigma Aldrich - M46705

Legal Information
DuPont 产品

Sigma Aldrich - 473936

包装
1 L in poly bottle
100, 250 mL in poly bottle

参考文献

• Reagent for replacement of an activated chlorine in an aromatic or heteroaromatic ring by the methylamino group: Synthesis, 39 (1980).
• Precursor of methyl isocyanide (highly toxic!), by dehydration with tosyl chloride in pyridine: Org. Synth. Coll., 5, 772 (1973).