Cas no 98-28-2 (4-tert-Butyl-2-chlorophenol (Technical Grade))

4-tert-Butyl-2-chlorophenol (Technical Grade) is a chlorinated phenolic compound commonly used as an intermediate in organic synthesis and industrial applications. Its chemical structure, featuring a tert-butyl group and a chlorine substituent on the phenol ring, enhances stability and reactivity, making it suitable for use in the production of agrochemicals, dyes, and specialty chemicals. The technical grade offers a cost-effective solution for large-scale processes where high purity is not critical. Its properties include moderate solubility in organic solvents and resistance to oxidation, facilitating handling and storage under standard conditions. This compound is valued for its versatility in synthetic chemistry and industrial formulations.
4-tert-Butyl-2-chlorophenol (Technical Grade) structure
98-28-2 structure
Product Name:4-tert-Butyl-2-chlorophenol (Technical Grade)
CAS No:98-28-2
MF:C10H13ClO
MW:184.662622213364
MDL:MFCD00019992
CID:81800
PubChem ID:7380
Update Time:2025-10-30

4-tert-Butyl-2-chlorophenol (Technical Grade) Chemical and Physical Properties

Names and Identifiers

    • 4-(tert-Butyl)-2-chlorophenol
    • 4-tert-Butyl-2-chlorophenol
    • 2-Chloro-4-tert-butylphenol
    • 2-chloro-4-t-butylphenol
    • 2-Chloro-4-tert-butylphenol1000μg
    • 4-TERT-BUTYL-2-CHLOROPHENOL: TECH.
    • 4-tert-Butyl-2-chlor-phenol
    • phenol,2-chloro,4-t-butyl
    • Phenol,4-tert-butyl-2-chloro
    • CS-0144872
    • NSC 8464
    • AMY28531
    • 4-t-butyl-2-chlorophenol
    • A928166
    • BS-48735
    • XAP5L8U19Y
    • ?2-chloro-4-tert-Butylphenol
    • MFCD00019992
    • PRLINSMUYJWPBL-UHFFFAOYSA-
    • E81808
    • Phenol, 2-chloro-4-(1,1-dimethylethyl)-
    • 2-chloro-4-(1,1-dimethylethyl)phenol
    • Phenol, 2-chloro, 4-t-butyl
    • UNII-XAP5L8U19Y
    • SCHEMBL397418
    • DTXSID0059164
    • AI3-00060
    • 4-TERT-BUTYL-2-CHLORO-PHENOL
    • 4-tert.-butyl-2-chlorophenol
    • EN300-843566
    • Phenol, 4-tert-butyl-2-chloro- (6CI,7CI,8CI); 2-Chloro-4-(1,1-dimethylethyl)phenol; 2-Chloro-4-tert-butylphenol; 4-tert-Butyl-2-chlorophenol; NSC 8464
    • EINECS 202-652-3
    • 4-tert-Butyl-2-chlorophenol (Technical Grade)
    • NSC8464
    • 4-tert.-butyl-2-chloro-phenol
    • AKOS005288311
    • InChI=1/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
    • NS00022918
    • NSC-8464
    • Q27894515
    • 98-28-2
    • Phenol, 4-tert-butyl-2-chloro-
    • MDL: MFCD00019992
    • Inchi: 1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
    • InChI Key: PRLINSMUYJWPBL-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(=C1)C(C)(C)C)O

Computed Properties

  • Exact Mass: 184.06500
  • Monoisotopic Mass: 184.0654927g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 150
  • 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: 3
  • XLogP3: 3.9
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Color/Form: Colorless liquid
  • PSA: 20.23000
  • LogP: 3.34310
  • Solubility: Not determined

4-tert-Butyl-2-chlorophenol (Technical Grade) Security Information

4-tert-Butyl-2-chlorophenol (Technical Grade) Customs Data

  • HS CODE:2908199090
  • Customs Data:

    China Customs Code:

    2908199090

    Overview:

    HS:2908199090 Derivatives of other phenols and phenolic alcohols containing only halogen substituents and their salts VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

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4-tert-Butyl-2-chlorophenol (Technical Grade) Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:98-28-2)4-tert-Butyl-2-chlorophenol (Technical Grade)
Order Number:A928166
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 14:54
Price ($):438.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:98-28-2)4-Tert-butyl-2-chlorophenol
Order Number:LE14774
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:11
Price ($):discuss personally

Additional information on 4-tert-Butyl-2-chlorophenol (Technical Grade)

4-Tert-Butyl-2-Chlorophenol (Technical Grade)

4-Tert-butyl-2-chlorophenol, also known by its CAS number CAS No. 98-28-2, is a versatile organic compound with significant applications in various industries. This compound is a derivative of phenol, characterized by the presence of a tert-butyl group at the 4-position and a chlorine atom at the 2-position of the phenol ring. Its technical grade designation indicates that it is suitable for industrial and technical applications, meeting specific purity and quality standards required for such uses.

The structure of 4-tert-butyl-2-chlorophenol plays a crucial role in its chemical reactivity and physical properties. The tert-butyl group is a bulky substituent, which can influence the compound's stability, solubility, and reactivity. The chlorine atom at the 2-position introduces additional electronic effects, making the molecule suitable for various chemical transformations. Recent studies have highlighted the importance of such substituted phenols in pharmaceutical intermediates and agrochemicals, underscoring their role in modern chemical synthesis.

One of the key areas where 4-tert-butyl-2-chlorophenol has found extensive use is in the production of biocides and preservatives. Its ability to inhibit microbial growth makes it valuable in protecting industrial products from degradation caused by bacteria, fungi, and algae. Moreover, advancements in green chemistry have led to the exploration of this compound as an environmentally friendly alternative to traditional biocides, aligning with global sustainability goals.

In terms of synthesis, 4-tert-butyl-2-chlorophenol can be prepared through various methods, including nucleophilic aromatic substitution and coupling reactions. Recent research has focused on optimizing these processes to enhance yield, reduce costs, and minimize environmental impact. For instance, the use of microwave-assisted synthesis has been reported to significantly accelerate reaction times while maintaining product quality.

The physical properties of 4-tert-butyl-2-chlorophenol are also noteworthy. It exists as a solid at room temperature with a melting point around 105°C and a boiling point above 300°C under standard conditions. Its solubility in organic solvents such as dichloromethane and ethyl acetate makes it amenable to various extraction and purification techniques commonly employed in chemical manufacturing.

In addition to its industrial applications, 4-tert-butyl-2-chlorophenol has been studied for its potential in materials science. Researchers have explored its use as a precursor for advanced polymers and composite materials, leveraging its unique structural features to develop high-performance materials with tailored properties. These findings highlight the compound's versatility across multiple disciplines.

Safety considerations are paramount when handling 4-tert-butyl-2-chlorophenol. While it is not classified as a hazardous material under standard conditions, proper precautions should be taken to avoid skin contact or inhalation. Occupational exposure limits have been established to ensure worker safety in industrial settings.

In conclusion, 4-Tert-butyl-2-chlorophenol (Technical Grade), CAS No. 98-28-2, is a multifaceted compound with wide-ranging applications across industries. Its chemical structure, physical properties, and reactivity make it an essential component in modern chemical synthesis and manufacturing processes. As research continues to uncover new applications and optimize existing ones, this compound remains a cornerstone of contemporary chemistry.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:98-28-2)4-tert-Butyl-2-chlorophenol (Technical Grade)
A928166
Purity:99%
Quantity:100g
Price ($):438.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:98-28-2)4-Tert-butyl-2-chlorophenol
LE14774
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email