Aniline-d5
(Synonyms: 苯胺-2,3,4,5,6-d5) 目录号 : GC49419
An internal standard for the quantification of aniline
Cas No.:4165-61-1
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >99.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
Aniline-d5 intended for use as an internal standard for the quantification of aniline by GC- or LC-MS. Aniline is an aromatic amine that has been used as a starting material in the synthesis of a wide variety of precursors to dyes and pigments, rubber processing chemicals, and agricultural chemicals.1 It increases the levels of reactive oxygen species (ROS) and malondialdehyde (MDA) and decreases the levels of glutathione and catalase, as well as the activity of superoxide dismutase (SOD), in primary rat hepatocytes when used at concentrations of 5 and 10 µg/ml.2 Aniline (0.3 and 0.6% of the diet) induces splenic sarcomas in rats and is neurotoxic to rats when administered at doses of 750 and 1,000 mg/kg.3,4 Formulations containing aniline have been used in the synthesis of pharmaceuticals.
1.Kahl, T., SchrÖder, K.-Q., Lawrence, F.R., et al.Aniline3465-478(2011) 2.Wang, Y., Gao, H., Na, X.-L., et al.Aniline induces oxidative stress and apoptosis of primary cultured hepatocytesInt. J. Environ. Res. Public Health13(12)1188(2016) 3.Goodman, D.G., Ward, J.M., and Reichardt, W.D.Splenic fibrosis and sarcomas in F344 rats fed diets containing aniline hydrochloride, p-chloroaniline, azobenzene, o-toluidine hydrochloride, 4,4’-sulfonyldianiline, or D & C red No. 9J. Natl. Cancer Inst.73(1)265-273(2019) 4.Okazaki, Y., Yamashita, K., Sudo, M., et al.Neurotoxicity induced by a single oral dose of aniline in ratsJ. Vet. Med. Sci.63(5)539-546(2001)
| Cas No. | 4165-61-1 | SDF | |
| 别名 | 苯胺-2,3,4,5,6-d5 | ||
| Canonical SMILES | [2H]C1=C(N)C([2H])=C([2H])C([2H])=C1[2H] | ||
| 分子式 | C6H2D5N | 分子量 | 98.2 |
| 溶解度 | DMF: 15 mg/ml,DMSO: 10 mg/ml,Ethanol: 3 mg/ml,PBS (pH 7.2): 5 mg/ml | 储存条件 | -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 10.1833 mL | 50.9165 mL | 101.833 mL |
| 5 mM | 2.0367 mL | 10.1833 mL | 20.3666 mL |
| 10 mM | 1.0183 mL | 5.0916 mL | 10.1833 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Hydrogen-bonding-induced enhancement of Fermi resonances: a linear IR and nonlinear 2D-IR study of Aniline-d5
J Phys Chem B 2013 Dec 12;117(49):15843-55.PMID:24000972DOI:10.1021/jp4084103.
Hydrogen bonding of the amino group of Aniline-d5 results in a huge enhancement of the NH2 bending overtone absorption strength, mainly attributed to the Fermi resonance effect. A quantitative analysis is presented, using a hybrid mode representation and encompassing experimental data on aniline with 0, 1, or 2 hydrogen bonds to dimethylsulfoxide (DMSO). Changes in enthalpy, hydrogen-bonding-induced frequency shifts, and the transition dipole moment increase of the local N-H stretching oscillator all demonstrate that the hydrogen bond is strongest in the single hydrogen-bonded complex. Linear IR overtone spectra show that the oscillator strength decreases upon hydrogen bonding for the N-H stretching overtones, which is opposite to the effect on the fundamental N-H stretching transitions. Polarization resolved 2D-IR spectra provide detailed information on the N-H stretching overtone manifold and support the relative orientations of the various IR transitions.
Synthesis of deuterium-labeled 2-quinoxalinecarboxylic acid and 3-methylquinoxaline-2-carboxylic acid from deuterium aniline
J Labelled Comp Radiopharm 2018 Dec;61(14):1043-1047.PMID:30132955DOI:10.1002/jlcr.3679.
An efficient and simple synthetic route of deuterium-labeled 2-quinoxalinecarboxylic acid-d4 (QCA-d4 ) and 3-methylquinoxaline-2-carboxylic acid-d4 (MQCA-d4 ) is presented with 99.9% and 99.6% isotopic enrichment using Aniline-d5 as labeled starting material. Their chemical structures were confirmed by 1 H NMR, and their isotopic abundance was determined by mass spectrometry analysis.
Hydrogen bonding induced enhancement of Fermi resonances: ultrafast vibrational energy flow dynamics in aniline-d₅
J Phys Chem B 2015 Feb 12;119(6):2711-25.PMID:25393885DOI:10.1021/jp509977r.
With hydrogen bonding of the amino group of Aniline-d5 we can identify the roles of Fermi enhanced combination and overtone states in intramolecular vibrational re-distribution (IVR) pathways for N-H stretching excitations. Using linear Fourier transform infrared (FT-IR) spectroscopy, ultrafast one- and two-color IR-pump-IR-probe spectroscopy, and femtosecond two-dimensional IR spectroscopy, we can identify the primary accepting modes for N-H stretching excitations. In particular, a key role is played by the δ(NH2) bending degree of freedom, either via its δ = 2 overtone state or via a combination state with the ν(C═C) ring stretching mode. No significant transient population in these Fermi enhanced combination/overtone states can be observed, a consequence of similar decay rates of these Fermi enhanced combination/overtone states and of the N-H stretching states. A similar magnitude of the transient response of the two fingerprint modes regardless of direct excitation of the Fermi enhanced combination/overtone levels or of the N-H stretching states suggests an underlying coupling mechanism facilitating common IVR pathways. This mechanism is expected to be of general importance for other organic compounds with hydrogen-bonded amino groups, including DNA bases.