Cas no 1135-12-2 (4-Benzylaniline)
4-Benzylaniline Chemical and Physical Properties
Names and Identifiers
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- 4-Aminodiphenylmethane
- 4-Benzylaniline
- 4-(Phenylmethyl)-Benzenamine
- 4-BENZYLANILIN
- 4-benzylbenzenaMine
- 4-benzylphenylamine
- 4-BENZYL-PHENYLAMINE
- BENZENAMINE,4-(PHENYLMETHYL)-
- P-AMINODIPHENYL METHANE
- p-benzylaniline
- p-Aminodiphenylmethane
- Benzenamine, 4-(phenylmethyl)-
- WDTRNCFZFQIWLM-UHFFFAOYSA-N
- 4-benzyl-aniline
- 4-benzyl aniline
- 4-Benzylaniline #
- p-Aminodiphenylmethan
- PubChem18531
- 4-(phenylmethyl)aniline
- Oprea1_734691
- Oprea1_296859
- KSC493I2N
- HMS1675O07
- BBL022986
- STL290412
- SBB010088
- CM1
- InChI=1/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H
- AM20020227
- 4-Benzylaniline, 97%
- TS-02558
- SCHEMBL202238
- SY050281
- A24668
- J-002973
- 4-(phenylmethyl)benzenamine
- AC-20647
- EN300-67230
- F0001-0278
- 1135-12-2
- BB 0216419
- FT-0617575
- DTXSID50150423
- MFCD00047861
- AKOS000530845
- BP-10844
- CS-W020050
- A1260
- Z1069980254
- aniline, 4-benzyl-
- 4-Benzylaniline hydrochloride (1:1)
-
- MDL: MFCD00047861
- Inchi: 1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2
- InChI Key: WDTRNCFZFQIWLM-UHFFFAOYSA-N
- SMILES: NC1C=CC(=CC=1)CC1C=CC=CC=1
- BRN: 2208463
Computed Properties
- Exact Mass: 183.10500
- Monoisotopic Mass: 183.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.2
- Topological Polar Surface Area: 26
Experimental Properties
- Color/Form: Colorless to yellow transparent liquid
- Density: 1.070±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 36.0 to 43.0 deg-C
- Boiling Point: 142-144°C 1mm
- Flash Point: Degrees Fahrenheit:230°F
Degrees Celsius:110°C - Refractive Index: 1.6118 (estimate)
- Solubility: Very slightly soluble (0.15 g/l) (25 o C),
- PSA: 26.02000
- LogP: 3.44080
- pka: 2.17(at 25℃)
- Solubility: Insoluble
4-Benzylaniline Security Information
-
Symbol:
- Prompt:warning
- Hazard Statement: H302+H312+H332-H315-H319
- Warning Statement: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Risk Phrases:R36/37/38
- Safety Term:S26;S36
4-Benzylaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 560235-1G |
4-Benzylaniline |
1135-12-2 | 97% | 1G |
¥308.23 | 2022-02-24 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 560235-5G |
4-Benzylaniline |
1135-12-2 | 97% | 5G |
¥1266.73 | 2022-02-24 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B833698-1g |
4-BENZYLANILINE |
1135-12-2 | 98% | 1g |
¥31.00 | 2022-09-02 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A1260-5g |
4-Benzylaniline |
1135-12-2 | 95.0%(GC&T) | 5g |
¥990.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A1260-25g |
4-Benzylaniline |
1135-12-2 | 95.0%(GC&T) | 25g |
¥2990.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 004636-5g |
4-Benzylaniline |
1135-12-2 | 98% | 5g |
454CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-RZ402-5g |
4-Benzylaniline |
1135-12-2 | 98% | 5g |
197CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-RZ402-1g |
4-Benzylaniline |
1135-12-2 | 98% | 1g |
51CNY | 2021-05-10 | |
| TRC | B230005-1g |
4-Benzylaniline |
1135-12-2 | 1g |
$ 65.00 | 2022-06-07 | ||
| TRC | B230005-5g |
4-Benzylaniline |
1135-12-2 | 5g |
$ 195.00 | 2022-06-07 |
4-Benzylaniline Suppliers
4-Benzylaniline Related Literature
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Zhen Qiao,Qiqi Zhou,Hongyi Zhang,Ningning Wei,Yanru Zhang,KeWei Wang Chem. Commun. 2019 55 5515
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Emma K. Gibson,John M. Winfield,Kenneth W. Muir,Robert H. Carr,Archie Eaglesham,Angelo Gavezzotti,Stewart F. Parker,David Lennon Phys. Chem. Chem. Phys. 2009 11 288
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Emma K. Gibson,John M. Winfield,Kenneth W. Muir,Robert H. Carr,Archie Eaglesham,Angelo Gavezzotti,David Lennon Phys. Chem. Chem. Phys. 2010 12 3824
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4. 252. Some substitution reactions of 4-aminodiphenylmethaneWilliam A. Waters J. Chem. Soc. 1933 1060
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Yanlong Sui,Lijie Qu,Peihong Li,Xueyan Dai,Qiangsheng Fang,Chunling Zhang,Ying Wang RSC Adv. 2020 10 13949
Additional information on 4-Benzylaniline
Professional Introduction to 4-Benzylaniline (CAS No. 1135-12-2)
4-Benzylaniline, with the chemical identifier CAS No. 1135-12-2, is a significant compound in the field of pharmaceutical chemistry and organic synthesis. This aromatic amine derivative has garnered considerable attention due to its versatile applications in drug development, particularly in the synthesis of bioactive molecules and intermediates. The structural integrity of this compound, featuring a benzyl group attached to an aniline moiety, makes it a valuable building block for various pharmacological investigations.
The utility of 4-Benzylaniline extends across multiple domains, including medicinal chemistry, where it serves as a precursor in the preparation of more complex molecules. Its role in the development of novel therapeutic agents has been underscored by recent studies exploring its potential in modulating biological pathways. Specifically, research has highlighted its significance in the synthesis of small-molecule inhibitors targeting enzymatic pathways implicated in diseases such as cancer and neurodegenerative disorders.
In the realm of synthetic organic chemistry, 4-Benzylaniline is valued for its reactivity and adaptability in forming various chemical bonds. Its benzyl group can participate in reactions such as nucleophilic substitution and condensation, facilitating the construction of intricate molecular frameworks. This characteristic has made it a staple in laboratory settings where complex organic transformations are required.
Recent advancements in drug discovery have seen 4-Benzylaniline being employed in the design of peptidomimetics and protein kinase inhibitors. The benzyl group enhances solubility and stability, which are critical factors in pharmaceutical formulations. Furthermore, modifications to the aniline moiety can fine-tune electronic properties, influencing binding affinity and selectivity. Such modifications are often guided by computational modeling and high-throughput screening techniques.
The pharmacological profile of derivatives derived from CAS No. 1135-12-2 has been extensively studied. For instance, analogs featuring different substituents on the aniline ring have shown promise in preclinical trials as potential treatments for inflammatory conditions. The ability to systematically vary substituents allows researchers to optimize pharmacokinetic and pharmacodynamic properties, leading to more effective therapeutic candidates.
The industrial production of 4-Benzylaniline adheres to stringent quality control measures to ensure purity and consistency. Manufacturers employ advanced purification techniques such as recrystallization and chromatography to meet the demands of pharmaceutical applications. These processes are critical because impurities can significantly affect the efficacy and safety of final drug products.
The environmental impact of synthesizing and handling CAS No. 1135-12-2 is also a consideration in modern research practices. Efforts are underway to develop greener synthetic routes that minimize waste and reduce energy consumption. Such initiatives align with broader sustainability goals within the chemical industry, ensuring that pharmaceutical development remains environmentally responsible.
In conclusion, 4-Benzylaniline represents a cornerstone compound in pharmaceutical research and industrial applications. Its unique structural features and reactivity make it indispensable for developing novel therapeutics targeting various diseases. As research continues to uncover new applications and synthetic methodologies, the importance of this compound is expected to grow further, solidifying its role as a key player in medicinal chemistry.
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