Cas no 1611-07-0 (3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile)
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile
- 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile
- 3,5-Bis(tert-butyl)-4-hydroxyphenylacetonitrile
- 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetonitrile
- 2-[3,5-Di(tert-butyl)-4-hydroxyphenyl]acetonitrile
- DTXSID70346841
- PS-7530
- SCHEMBL3798584
- 2-(3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL)ACETONITRILE
- AKOS022181905
- ?3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLACETONITRILE
- CS-0313276
- (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile
- 4-hydroxy-3,5-di-t-butylphenyl-acetonitrile
- 4-hydroxy-3,5-di-t-butylphenylacetonitrile
- (3,5-Ditert-butyl-4-hydroxyphenyl)acetonitrile #
- FT-0610862
- W-205871
- Benzeneacetonitrile,3,5-bis(1,1-dimethylethyl)-4-hydroxy-
- 2,6-Bis(1,1-dimethylethyl)-4-cyanomethylphenol
- Benzeneacetonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
- MFCD00156139
- BAA61107
- 1611-07-0
-
- MDL： MFCD00156139
- Inchi： 1S/C16H23NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h9-10,18H,7H2,1-6H3
- InChI Key： BEQZSRGZHCDMMH-UHFFFAOYSA-N
- SMILES： OC1C(=CC(CC#N)=CC=1C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 245.17800
- Monoisotopic Mass: 245.177964
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 301
- 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: 2
- XLogP3: 4.6
- Topological Polar Surface Area: 44
Experimental Properties
- Color/Form: Not determined
- Density: 0.991
- Melting Point: 104 °C
- Boiling Point: 323 °C at 760 mmHg
- Flash Point: 149.2 °C
- Refractive Index: 1.513
- PSA: 44.02000
- LogP: 4.05328
- Solubility: Not determined
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile Security Information
- Hazard Statement： Irritant
- Hazardous Material transportation number：3276
- Hazard Category Code： 20/21/22
- Safety Instruction： S22; S36/37/39; S45
-
Hazardous Material Identification：
- HazardClass：6.1
- PackingGroup：III
- Safety Term：6.1
- Packing Group：III
- Risk Phrases：R20/21/22
- Packing Group：III
- Hazard Level：6.1
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. 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
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D492930-50mg |
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile |
1611-07-0 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D492930-100mg |
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile |
1611-07-0 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D492930-500mg |
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile |
1611-07-0 | 500mg |
$ 95.00 | 2022-06-05 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-AC080-200mg |
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile |
1611-07-0 | 98% | 200mg |
￥123.0 | 2022-02-28 | |
| Apollo Scientific | OR21939-1g |
3,5-Bis(tert-butyl)-4-hydroxyphenylacetonitrile |
1611-07-0 | 1g |
￡120.00 | 2025-02-19 | ||
| 1PlusChem | 1P001SML-1g |
Benzeneacetonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- |
1611-07-0 | 95% | 1g |
$90.00 | 2025-02-19 | |
| A2B Chem LLC | AA82957-1g |
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile |
1611-07-0 | 95% | 1g |
$81.00 | 2024-04-20 | |
| Ambeed | A194218-5g |
2-(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile |
1611-07-0 | 98% | 5g |
$289.0 | 2024-08-03 | |
| A2B Chem LLC | AA82957-1mg |
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile |
1611-07-0 | >95% | 1mg |
$202.00 | 2024-01-03 | |
| A2B Chem LLC | AA82957-5mg |
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile |
1611-07-0 | >95% | 5mg |
$215.00 | 2024-01-03 |
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile Suppliers
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3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
Additional information on 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile
Comprehensive Guide to 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile (CAS No. 1611-07-0): Properties, Applications, and Industry Trends
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile (CAS No. 1611-07-0) is a specialized organic compound widely recognized for its role as an intermediate in the synthesis of high-performance antioxidants and stabilizers. Its molecular structure, featuring tert-butyl groups and a hydroxyphenyl moiety, grants it unique chemical properties that cater to industries such as polymers, coatings, and specialty chemicals. This article delves into its characteristics, applications, and emerging trends aligned with current market demands.
The compound’s systematic name, 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile, highlights its structural components: a phenylacetonitrile backbone substituted with two tert-butyl groups at the 3 and 5 positions and a hydroxyl group at the 4 position. This configuration enhances its steric hindrance and electron-donating capabilities, making it a valuable precursor for antioxidant additives. Researchers and manufacturers frequently search for "CAS 1611-07-0 uses" or "3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile synthesis," reflecting its industrial relevance.
In the polymer industry, 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile is pivotal in producing hindered phenol antioxidants, which mitigate oxidative degradation in plastics and elastomers. With sustainability driving innovation, biodegradable polymers and recyclable materials are hot topics. This compound’s derivatives align with these trends by extending product lifespans, reducing waste, and meeting regulatory standards for eco-friendly additives. Searches like "green antioxidant solutions" or "polymer stabilizers 2024" underscore this demand.
Another growing application lies in coatings and adhesives, where the compound’s nitrile group enables further functionalization. UV-resistant coatings, in particular, benefit from its derivatives, addressing the need for durable materials in construction and automotive sectors. Keywords such as "high-performance coatings additives" or "CAS 1611-07-0 in adhesives" are frequently queried, indicating niche market interest.
From a synthetic chemistry perspective, 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile serves as a building block for pharmaceutical intermediates and agrochemicals. Its robust aromatic system and functional groups allow for versatile modifications, catering to drug discovery and crop protection formulations. Recent searches for "nitrile-based pharmaceutical intermediates" highlight its cross-industry utility.
Quality and safety are paramount in handling CAS No. 1611-07-0. While not classified as hazardous, proper storage conditions (e.g., cool, dry environments) and compliance with regional chemical regulations are essential. Industry professionals often seek "3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile safety data" or "handling guidelines for nitrile compounds," emphasizing operational best practices.
In conclusion, 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile remains a cornerstone in advanced material science, driven by its adaptability and performance-enhancing properties. As industries prioritize sustainability and efficiency, this compound’s role in antioxidant formulations and specialty chemicals will continue to expand, supported by ongoing research and eco-conscious innovations.
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