Cas no 1710-98-1 (4-tert-Butylbenzoyl chloride)

4-tert-Butylbenzoyl chloride (CAS 1710-98-1) is a versatile acylating agent used in organic synthesis, particularly in the preparation of esters, amides, and other derivatives. Its tert-butyl substituent enhances steric and electronic effects, making it valuable for introducing the 4-tert-butylbenzoyl moiety into target molecules. The compound exhibits high reactivity due to the electrophilic carbonyl carbon, enabling efficient acylation reactions under mild conditions. It is commonly employed in pharmaceuticals, agrochemicals, and specialty chemical synthesis. The product is typically supplied as a clear to pale yellow liquid and should be handled under inert conditions due to moisture sensitivity. Its stability and selectivity make it a preferred reagent for controlled functionalization in complex molecular frameworks.
4-tert-Butylbenzoyl chloride structure
4-tert-Butylbenzoyl chloride structure
Product Name:4-tert-Butylbenzoyl chloride
CAS No:1710-98-1
MF:C11H13ClO
MW:196.673322439194
MDL:MFCD00000695
CID:41853
PubChem ID:24849656
Update Time:2025-11-01

4-tert-Butylbenzoyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-tert-Butylbenzoyl chloride
    • Butylbenzoylchloride
    • 4-(1,1-dimethylethyl)benzoic acid chloride
    • 4-(1,1-dimethylethyl)benzoyl chloride
    • 4-t-BuC6H4COCl
    • 4-tert-butyl-benzoyl chloride
    • Benzoyl chloride,4-(1,1-dimethylethyl)
    • p-tert-Bu-C6H4COCl
    • p-tert-butyl-benzoyl chloride
    • 4-(1,1-Dimethylethyl)-Benzoyl chloride
    • 4-tert-Butylbenzoyl
    • P-T-BUTYLBENZOYL CHLORIDE
    • 4-TERT-BTUYLBENZOYLCHLORIDE
    • P-TERT-BUTYLBENZOYL CHLORIDE
    • Benzoylchloride,p-tert-butyl-
    • 4-tert-Butylbenzoic acid chloride
    • 4-tert-Butylbenzoylchloride
    • 4-tert-Butylbenzoyl chloride 98%
    • 4-tert-Butylbenzoyl chloride, 98+%
    • SCHEMBL38841
    • 4-Tert-butylphenylcarbonyl chloride
    • EINECS 216-973-1
    • 4-t-Butylbenzoic acid chloride
    • F16213
    • 4-t-butyl-benzoyl chloride
    • DTXSID0061903
    • FT-0619500
    • NS00025610
    • 4-(Tert-butyl)-benzoyl chloride
    • MFCD00000695
    • F2190-0044
    • 1710-98-1
    • 4-(tert-butyl)benzoyl chloride
    • p-tert.-butylbenzoyl chloride
    • AKOS009158780
    • EN300-742036
    • 4-t-butylbenzoyl chloride
    • p-tert.butylbenzoyl chloride
    • Benzoyl chloride, 4-(1,1-dimethylethyl)-
    • 4-tertbutylbenzoyl chloride
    • 4-tert.-butylbenzoic acid chloride
    • 4-tert-Butylbenzoyl chloride, purum, >=98.0% (T)
    • W-107877
    • 4-tert-Butylbenzoyl chloride, 98%
    • JP27WES49W
    • 4-tert-butyl benzoyl chloride
    • 4-(t-butyl)benzoyl chloride
    • AS-47809
    • 4 -tert-butylbenzoyl chloride
    • DTXCID3035476
    • DB-043851
    • Benzoyl chloride, 4(1,1dimethylethyl)
    • FB10499
    • 216-973-1
    • MDL: MFCD00000695
    • Inchi: 1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3
    • InChI Key: WNLMYNASWOULQY-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(=CC=1)C(C)(C)C)=O
    • BRN: 775793

Computed Properties

  • Exact Mass: 196.06500
  • Monoisotopic Mass: 196.065
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 185
  • 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: nothing
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Color/Form: Colorless or yellowish liquid.
  • Density: 1.007?g/mL?at 25?°C(lit.)
  • Boiling Point: 135?°C/20?mmHg(lit.)
  • Flash Point: Fahrenheit: 188.6 ° f < br / > Celsius: 87 ° C < br / >
  • Refractive Index: n20/D 1.536(lit.)
  • Water Partition Coefficient: Reacts with water.
  • PSA: 17.07000
  • LogP: 3.36310
  • Sensitiveness: Moisture Sensitive
  • Solubility: Insoluble in water and alcohol, soluble in benzene.

4-tert-Butylbenzoyl chloride Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280-P305 + P351 + P338-P310
  • Hazardous Material transportation number:UN 3265 8/PG 2
  • WGK Germany:3
  • Hazard Category Code: 34-37
  • Safety Instruction: S26-S36/37/39-S45-S24/25
  • FLUKA BRAND F CODES:9-21
  • Hazardous Material Identification: C
  • HazardClass:8
  • PackingGroup:II
  • TSCA:Yes
  • Storage Condition:Corrosive substances.
  • Risk Phrases:R34
  • Packing Group:II
  • Safety Term:8
  • Packing Group:II
  • Hazard Level:8

4-tert-Butylbenzoyl chloride Customs Data

  • HS CODE:29163900
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. 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, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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4-tert-Butylbenzoyl chloride Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:1710-98-1)4-tert-Butylbenzoyl chloride
Order Number:sfd10543
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:35
Price ($):discuss personally
Amadis Chemical Company Limited
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(CAS:1710-98-1)4-tert-Butylbenzoyl chloride
Order Number:A1208891
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 03:51
Price ($):236.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:1710-98-1)對(duì)叔丁基苯甲酰氯
Order Number:LE1747677
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:35
Price ($):discuss personally

4-tert-Butylbenzoyl chloride Related Literature

Additional information on 4-tert-Butylbenzoyl chloride

4-Tert-Butylbenzoyl Chloride: A Comprehensive Overview

4-Tert-butylbenzoyl chloride, also known as tert-butylbenzoyl chloride, is a versatile organic compound with the CAS number 1710-98-1. This compound is widely recognized in the chemical industry for its role in various synthetic processes. Its structure consists of a benzoyl group attached to a tert-butyl substituent, making it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. The molecule's stability and reactivity make it a preferred choice in numerous applications.

The synthesis of 4-tert-butylbenzoyl chloride typically involves the Friedel-Crafts acylation reaction, where an acyl chloride reacts with an aromatic ring in the presence of a Lewis acid catalyst. Recent advancements in catalytic systems have enhanced the efficiency of this reaction, leading to higher yields and better purity. Researchers have also explored alternative methods, such as using microwave-assisted synthesis, which has shown promising results in reducing reaction times and energy consumption.

In terms of applications, 4-tert-butylbenzoyl chloride is extensively used in the pharmaceutical industry as an intermediate for synthesizing bioactive compounds. For instance, it serves as a key precursor in the production of nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents. Its ability to form stable amides and esters makes it indispensable in drug design and development.

The compound also finds significant use in the agrochemical sector, particularly in the synthesis of herbicides and fungicides. Its stability under various environmental conditions ensures its effectiveness in agricultural applications. Recent studies have highlighted its potential as a building block for developing more efficient and environmentally friendly pesticides.

4-Tert-butylbenzoyl chloride's properties extend beyond traditional applications. It has emerged as a valuable reagent in organic synthesis, enabling the construction of complex molecular frameworks. Its compatibility with various coupling reactions has made it a favorite among chemists working on natural product synthesis and material science.

The environmental impact of 4-tert-butylbenzoyl chloride has been a focal point of recent research. Studies have demonstrated that its degradation products are non-toxic and biodegradable under specific conditions, which aligns with the growing demand for sustainable chemical practices. This has further solidified its position as a green chemistry alternative in industrial processes.

In conclusion, 4-tert-butylbenzoyl chloride is a multifaceted compound with a wide range of applications across diverse industries. Its chemical properties, coupled with advancements in synthetic methodologies, continue to expand its utility. As research progresses, this compound is expected to play an even more pivotal role in driving innovation in pharmaceuticals, agrochemicals, and beyond.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:1710-98-1)4-tert-Butylbenzoyl chloride
sfd10543
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:1710-98-1)4-tert-Butylbenzoyl chloride
A1208891
Purity:99%
Quantity:500g
Price ($):236.0
Email