4-(dimethylamino)benzaldehyde

• ChemBase编号: 103642
• 分子式: C9H11NO
• 平均质量: 149.18974
• 单一同位素质量: 149.08406398
• SMILES: CN(C)c1ccc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(cc1)N(C)C
• InChI: InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
• InChIKey: BGNGWHSBYQYVRX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(dimethylamino)benzaldehyde
• IUPAC传统名: para-dimethylaminobenzaldehyde
• 别名: Ehrlich 试剂; 4-(二甲基氨基)苯甲醛; 4-二甲氨基苯甲醛, ACS; 4-二甲氨基苯甲醛; 对二甲氨基苯甲醛 溶液; 4-(二甲胺基)苯甲醛 - 盐酸 溶液; Ehrlich 溶液; 对二甲氨基苯甲醛 溶液; 按照 Kovac 方法的吲哚试剂; Kovac 吲哚试剂; 4-(dimethylamino)benzaldehyde; 4-(Dimethylamino)benzaldehyde; Ehrlich’s reagent; 4-Dimethylaminobenzaldehyde; 4-Dimethylaminobenzaldehyde, ACS; 4-Dimethylaminobenzaldehyde; Ehrlich's reagent; 4-(Dimethylamino)benzaldehyde; p-DIMETHYLAMINO-BENZALDEHYDE, ACS; p-DIMETHYLAMINOBENZALDEHYDE; p-Dimethylaminobenzaldehyde; 4-Formyl-N,N-dimethylaniline; N,N-Dimethyl-4-formylaniline; Para-Dimethylaminobenzaldehyde; p-Dimethylaminobenzaldehyde; DMAB; 4-(Dimethylamino)benzaldehyde solution; 4-(Dimethylamino)benzaldehyde - hydrochloric acid solution; Ehrlich’s solution; 4-(Dimethylamino)benzaldehyde solution; Indole reagent according to Kovac; Kovac’s reagent for indoles

登记号

• CAS号: 100-10-7
• EC号: 200-661-7; 202-819-0
• MDL号: MFCD00003381
• Beilstein号: 4132845; 606802
• 默克索引号: 143230
• PubChem SID: 162090720; 24864339; 24882019; 24849612; 24846936; 24845615; 24893588; 24845318; 24859949
• PubChem CID: 7479
• Chemspider ID: 7199
• 维基百科标题: Para-Dimethylaminobenzaldehyde

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.7896831
• LogD (pH = 7.4): 1.79374
• Log P: 1.793792
• 摩尔折射率: 47.0706 cm^3
• 极化性: 17.04478 Å^3
• 极化表面积: 20.31 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

• 溶解度: 0.3 g/L in water; alcohol: passes test (APHA ≤60); alcohol: soluble (APHA ≤60); hydrochloric acid: passes test; hydrochloric acid: soluble; Slightly soluble in water. Soluble in alcohol, ether, chloroform, acetic acid
• 外观: Solid; yellow-white powder
• 熔点: 70-74 °C; 72-75 °C(lit.); 72-75°C; 73-75 °C; 73-75 °C(lit.); 73-75°C; 73-75°C; 74°C
• 沸点: 176-177°C @ 17mm; 176–177 °C; 176-177°C/17mm
• 闪点: 109.4 °F; 12 °C; 164 °C; 164 °C; 164°C(327°F); 327.2 °F; 36 °C; 43 °C; 53.6 °F; 96.8 °F
• 密度: 1.1 g/mL; 1.10 g/mL at 20 °C
• 折射率: n20/D 1.417
• 紫外吸收波长: λmax 385 nm; λmin 369 nm

安全信息

• 保存条件: Room Temperature (15-30°C), Store Under Nitrogen, Protect from light
• 保存注意事项: Air & Light Sensitive; Air Sensitive
• RTECS编号: CU5775000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); X; 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1219; 1789; 2920
• 德国WGK号: 1
• 联合国危险货物等级: 3; 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 10-20-34-37; 10-22-37/38-41-67; 11-36-67; 22-36/37/38; 36/37/38; R:36/37/38
• 安全公开号: 26; 26-36/37; 26-36/37/39-45; 26-39; 7-16-24/25-26; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H319-H336; H226-H302-H315-H318-H335-H336; H226-H314-H332-H335; H301-H315-H319-H335; H315-H319-H335
• GHS警示性声明: P210-P261-P305 + P351 + P338; P261-P280-P305 + P351 + P338; P261-P280-P305 + P351 + P338-P310; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; 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; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1219 3/PG 2; UN 1789 8/PG 2; UN 2920 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (HPLC); ≥99% (perchloric acid titration); ≥99.0%; ≥99.0% (HPLC); 98%; 99%
• 浓度: 10 g/L in isopropanol
• 级别: ACS; ACS reagent; for microbiology; for TLC derivatization; JIS special grade; puriss. p.a.; purum; Reag. Ph. Eur.; REAGENT
• 主要成分: 4-(dimethlyamino)benzaldehyde, 50 g/L; 4-dimethylaminobenzaldehyde; hydrochloric acid; hydrochloric acid, 240 g/L; isoamylic alcohol, 710 g/L; n-butanol
• 适用性: suitable for histochemical demonstration of nitro blue tetrazolium reduction in neutrophils
• 燃烧残渣: ≤0.1%; ≤0.1% (as SO4)
• 杂质: Color of hydrochloric acid solution, passes test
• 痕量阳离子: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤10 mg/kg; Fe: ≤50 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• 干燥失重: ≤0.5% loss on drying
• 品质说明: for the determination of hydroxyproline
• 线性分子式: (CH3)2NC6H4CHO
• Empirical Formula (Hill Notation): C9H11NO

详细说明

MP Biomedicals - 02152517

ACS Reagent Grade
Crystalline

MP Biomedicals - 05208384

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D2004

Application
与吡咯1和伯胺2反应生成有色缩合产物(席夫碱)。

Sigma Aldrich - D8904

Application
与吡咯1和伯胺2反应生成有色缩合产物(席夫碱)。

Sigma Aldrich - 109762

Application
与吡咯1和伯胺2反应生成有色缩合产物(席夫碱)。
包装
100, 500 g in glass bottle

Sigma Aldrich - 03891

Application
试剂，用于尿胆素原

Sigma Aldrich - 39080

Application
与吡咯1和伯胺2反应生成有色缩合产物(席夫碱)。

Sigma Aldrich - 02560

Application
色谱喷雾和浸渍显色剂

Sigma Aldrich - 39070

Application
与吡咯1和伯胺2反应生成有色缩合产物(席夫碱)。
Other Notes
检测氨基酸、肽、胺、吲哚、肼和过氧化氢的分析试剂；色氨酸的显色剂3,4；用于检测蛋白质中的色氨酸5；鉴定吲哚生成微生物的测试试剂。对于 Kovacs 试剂，在 150mL 1-戊醇中溶解 10g 对二甲氨基苯甲醛，并加入 50mL 浓盐酸

Sigma Aldrich - 60983

Application
当存在氧气时，如大肠杆菌等某些细菌能将色氨酸分解为吲哚和 α-氨基丙酸。本品用于检测吲哚并鉴定吲哚阳性和吲哚阴性微生物。
General description
4-(二甲氨基)苯甲醛和盐酸的正丁醇溶液。

Sigma Aldrich - 67309

Application
当存在氧气时，如大肠杆菌等某些细菌能将色氨酸分解为吲哚和 α-氨基丙酸。本品用于检测吲哚并鉴定吲哚阳性和吲哚阴性微生物。

Sigma Aldrich - 33130

Application
与吡咯1和伯胺2反应生成有色缩合产物(席夫碱)。

Sigma Aldrich - 156477

Application
与吡咯1和伯胺2反应生成有色缩合产物(席夫碱)。
包装
25, 100, 250, 500 g in glass bottle

Sigma Aldrich - 07-4130

Application
与吡咯1和伯胺2反应生成有色缩合产物(席夫碱)。

参考文献

• Reagent for conversion of Grignard reagents to the corresponding aldehydes via the carbinol which is cleaved by an aryldiazonium salt to give the aldehyde and the 4-(dimethylamino)azo compound: J. Org. Chem., 25, 1691 (1960); 27, 279 (1962);Org. Synth. Coll., 5, 46 (1973).
• Reagent for determination of amino acids and peptides.
• Color reagent for pyrroles and amines: J. Am. Chem. Soc., 86, 2441 (1964); F. Feigl, Spot Tests, vol. 2, Elsevier, Amsterdam (1954), p. 198.