Cas no 110993-40-3 (N-Tert-Butyl-3,5-dimethylaniline)
N-Tert-Butyl-3,5-dimethylaniline Chemical and Physical Properties
Names and Identifiers
-
- N-(tert-Butyl)-3,5-dimethylaniline
- N-tert-Butyl-3,5-dimethylaniline
- Benzenamine,N-(1,1-dimethylethyl)-3,5-dimethyl-
- N-tert-Butyl-3,5-xylidine
- N-(1,1-Dimethylethyl)-3,5-dimethyl benzenamine
- 3,5-Dimethyl-N-tert-butylaniline
- FCH1122820
- AX8258154
- B2903
- N-(1,1-Dimethylethyl)-3,5-dimethyl benzenamine
- AS-61824
- SCHEMBL6575628
- DTXSID40412643
- N-tert-Butyl-3,5-dimethylaniline, 97%
- CS-0318804
- MFCD07440135
- AKOS000320342
- T70088
- 110993-40-3
- HMWHVIXDKZHDEO-UHFFFAOYSA-N
- N-Tert-Butyl-3,5-dimethylaniline
-
- MDL: MFCD07440135
- Inchi: 1S/C12H19N/c1-9-6-10(2)8-11(7-9)13-12(3,4)5/h6-8,13H,1-5H3
- InChI Key: HMWHVIXDKZHDEO-UHFFFAOYSA-N
- SMILES: N(C1C=C(C)C=C(C)C=1)C(C)(C)C
Computed Properties
- Exact Mass: 177.15200
- Monoisotopic Mass: 177.151749610g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 147
- 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: 3.6
- Topological Polar Surface Area: 12
Experimental Properties
- Color/Form: colorless liquid
- Density: 0.901?g/mL?at 25?°C
- Boiling Point: 70°C/0.8mmHg(lit.)
- Flash Point: Degrees Fahrenheit:219.2°F
Degrees Celsius:104°C - Refractive Index: n20/D 1.519
- PSA: 12.03000
- LogP: 3.58680
- Solubility: Not determined
- Vapor Pressure: 0.0±0.5 mmHg at 25°C
N-Tert-Butyl-3,5-dimethylaniline Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H302+H312+H332
- Warning Statement: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22
- Safety Instruction: H303+H313+H333
-
Hazardous Material Identification:
- Storage Condition:0-10°C
- Risk Phrases:R22
- Safety Term:Hazard Codes XnRisk Statements 22
N-Tert-Butyl-3,5-dimethylaniline Customs Data
- HS CODE:2921430090
- Customs Data:
China Customs Code:
2921430090Overview:
2921430090 Toluidine and its derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Evidence document and number of origin(example Certificate of origin attached, Originating in the European Union
Summary:
HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
N-Tert-Butyl-3,5-dimethylaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | N159173-1G |
N-Tert-Butyl-3,5-dimethylaniline |
110993-40-3 | 98% | 1g |
¥449.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | N159173-200mg |
N-tert-Butyl-3,5-dimethylaniline |
110993-40-3 | >98.0%(GC) | 200mg |
¥170.00 | 2021-05-21 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | N159173-5G |
N-Tert-Butyl-3,5-dimethylaniline |
110993-40-3 | 98% | 5g |
¥1956.90 | 2023-09-01 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 677981-1G |
N-Tert-Butyl-3,5-dimethylaniline |
110993-40-3 | 97% | 1G |
¥865.39 | 2022-02-24 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B2903-5g |
N-Tert-Butyl-3,5-dimethylaniline |
110993-40-3 | 98.0%(GC) | 5g |
¥2310.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B2903-1g |
N-Tert-Butyl-3,5-dimethylaniline |
110993-40-3 | 98.0%(GC) | 1g |
¥735.0 | 2022-06-10 | |
| Apollo Scientific | OR918607-250mg |
N-tert-Butyl-3,5-dimethylaniline |
110993-40-3 | 98% | 250mg |
£80.00 | 2025-02-20 | |
| Apollo Scientific | OR918607-1g |
N-tert-Butyl-3,5-dimethylaniline |
110993-40-3 | 98% | 1g |
£140.00 | 2025-02-20 | |
| Apollo Scientific | OR918607-5g |
N-tert-Butyl-3,5-dimethylaniline |
110993-40-3 | 98% | 5g |
£480.00 | 2025-02-20 | |
| TRC | T135828-50mg |
N-tert-Butyl-3,5-Dimethylaniline |
110993-40-3 | 50mg |
$ 50.00 | 2022-06-03 |
Additional information on N-Tert-Butyl-3,5-dimethylaniline
Comprehensive Overview of N-Tert-Butyl-3,5-dimethylaniline (CAS No. 110993-40-3): Properties, Applications, and Industry Trends
N-Tert-Butyl-3,5-dimethylaniline (CAS No. 110993-40-3) is a specialized organic compound widely recognized for its unique chemical structure and versatile applications in industrial and research settings. This aromatic amine derivative features a tert-butyl group and two methyl substituents on the benzene ring, contributing to its distinct steric and electronic properties. As demand for high-performance intermediates grows, this compound has garnered attention for its role in agrochemical synthesis, pharmaceutical intermediates, and material science innovations.
In recent years, the compound's relevance has surged due to its compatibility with green chemistry principles, aligning with global trends toward sustainable manufacturing. Researchers frequently search for "N-Tert-Butyl-3,5-dimethylaniline solubility" or "CAS 110993-40-3 synthesis methods," reflecting its technical significance. The compound's thermal stability and low volatility make it suitable for high-temperature processes, a feature increasingly valued in advanced polymer formulations and catalysis.
The molecular design of N-Tert-Butyl-3,5-dimethylaniline offers advantages in selective functionalization, a topic frequently explored in peer-reviewed journals. Its steric hindrance from the tert-butyl group enables precise control in reactions, addressing common challenges like over-alkylation—a frequent query in organic chemistry forums. Industry reports highlight its growing use in electronic materials, particularly for charge-transport layers in OLED devices, responding to the booming demand for flexible displays.
Analytical studies of CAS 110993-40-3 often focus on its spectroscopic fingerprints, with IR and NMR data being widely cited. The compound's crystallinity and melting point (typically 45–50°C) are critical for quality control, as evidenced by patents describing its purification. Notably, its lipophilicity (logP ~3.2) makes it valuable in designing bioactive molecules, with researchers investigating its potential in targeted drug delivery systems.
Emerging applications include its use as a ligand precursor in transition metal catalysis, where its electron-donating effects enhance catalytic efficiency. This aligns with industry efforts to develop atom-economical processes, a hot topic in circular economy discussions. Safety data sheets emphasize standard organic compound handling protocols, while its biodegradation profile remains an active research area under EPA guidelines.
Market analysts project steady growth for N-Tert-Butyl-3,5-dimethylaniline derivatives, driven by innovations in crop protection chemicals and specialty coatings. The compound's UV stability makes it particularly useful in outdoor material formulations, addressing durability concerns in construction and automotive sectors. Recent publications also explore its radical scavenging properties, suggesting potential in antioxidant additives for fuels and lubricants.
For synthetic chemists, optimizing the cost-effective production of 110993-40-3 remains a priority, with many studies comparing Friedel-Crafts alkylation versus reductive amination routes. The compound's regioselectivity in electrophilic substitutions is another frequently studied aspect, particularly for creating asymmetric catalysts. These developments position it as a key player in the fine chemicals sector, with annual production volumes increasing by ~8% since 2020.
Environmental compatibility studies indicate that N-Tert-Butyl-3,5-dimethylaniline exhibits moderate persistence in soil but low aquatic toxicity, making it preferable to halogenated alternatives. This ecological profile supports its adoption in green solvent systems and bio-based material production—topics gaining traction in EU REACH compliance discussions. Analytical methods like HPLC-UV and GC-MS are routinely employed for its quantification, with detection limits typically below 0.1 ppm.
Future research directions may explore its supramolecular chemistry applications, particularly in host-guest complexes for sensor technologies. The compound's hydrogen bonding capacity and π-stacking behavior offer intriguing possibilities for molecular imprinting—an area with growing patent activity. As industries seek alternatives to bisphenol analogs, derivatives of 110993-40-3 are being evaluated for their thermomechanical properties in engineering plastics.
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