Cas no 81228-09-3 (2-(2,4-difluorophenyl)acetic acid)

2-(2,4-difluorophenyl)acetic acid structure
81228-09-3 structure
Product Name:2-(2,4-difluorophenyl)acetic acid
CAS No:81228-09-3
MF:C8H6F2O2
MW:172.128849506378
MDL:MFCD00009999
CID:60311
PubChem ID:123581
Update Time:2024-10-27

2-(2,4-difluorophenyl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2,4-Difluorophenylacetic acid
    • 2-(2,4-difluorophenyl)acetic acid
    • 2,4-Ddifluorophenylacetic acid
    • 2,4-difluoroBenzeneacetic acid
    • Benzeneacetic acid, 2,4-difluoro-
    • QPKZIGHNRLZBCL-UHFFFAOYSA-N
    • (2,4-difluorophenyl)acetic acid
    • 2,4-Difluorophenylaceticacid
    • PubChem4093
    • KSC450I4F
    • RARECHEM AL BO 0247
    • QPKZIGHNRLZBCL-UHFFFAOYSA-
    • (2,4-difluoro-phenyl)acetic acid
    • D4321
    • EN300-100639
    • W-104213
    • CS-W020581
    • 2,4-difluorophenyl acetic acid
    • Z362118706
    • AKOS005218000
    • 81228-09-3
    • SCHEMBL503325
    • AM61666
    • FT-0610107
    • MFCD00009999
    • InChI=1/C8H6F2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
    • 2,4-Difluorophenylacetic acid, 97%
    • EINECS 279-709-4
    • AC-7443
    • NS00060554
    • A9987
    • DTXSID90230975
    • F0001-2095
    • SY017050
    • PS-8679
    • 2,4-Difluorobenzeneacetic acid (ACI)
    • 2,4-Difluorophenylacetic Acid; 2-(2,4-Difluorophenyl)acetic Acid
    • DB-030791
    • MDL： MFCD00009999
    • Inchi： 1S/C8H6F2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
    • InChI Key： QPKZIGHNRLZBCL-UHFFFAOYSA-N
    • SMILES： O=C(CC1C(F)=CC(F)=CC=1)O
    • BRN： 3649727

Computed Properties

  • Exact Mass: 172.03400
  • Monoisotopic Mass: 172.034
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 1.6
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: Beige crystal
  • Density: 1.3010 (estimate)
  • Melting Point: 115.0 to 119.0 deg-C
  • Boiling Point: 219°C (rough estimate)
  • Flash Point: 109.4±23.2 °C
  • Refractive Index: 1.508
  • PSA: 37.30000
  • LogP: 1.59190
  • Solubility: Not determined

2-(2,4-difluorophenyl)acetic acid Security Information

  • Symbol: GHS07
  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H315,H319,H335
  • Warning Statement： P261,P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S37/39
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38
  • HazardClass：IRRITANT
  • Storage Condition：Store at room temperature

2-(2,4-difluorophenyl)acetic acid Customs Data

  • HS CODE：2916399090
  • 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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2-(2,4-difluorophenyl)acetic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen bromide Catalysts: Zinc bromide Solvents: Acetic acid ;  4 h, 120 °C; 120 °C → rt
1.2 Reagents: Water ;  rt
1.3 Reagents: Magnesium Solvents: Diethyl ether ;  10 min, rt; 2.5 h, reflux; reflux → -10 °C
1.4 1 h, < 0 °C
1.5 Reagents: Hydrochloric acid Solvents: Water ;  cooled
Reference
Improved large-scale liquid-phase synthesis and high-temperature NMR characterization of short -(F-)PNAs
Ploeger, Tobias A.; et al, Chemistry and Biology of Artificial Nucleic Acids, 2012, 513, 513-541

Production Method 2

Reaction Conditions
1.1 Reagents: Zinc bromide ,  Hydrogen bromide Solvents: Acetic acid ;  4 h, 120 °C; 120 °C → rt
1.2 Reagents: Water ;  rt
1.3 Reagents: Magnesium Solvents: Diethyl ether ;  10 min, rt; 2.5 h, reflux; reflux → -10 °C
1.4 1 h, < 0 °C
1.5 Reagents: Hydrochloric acid Solvents: Water ;  cooled
Reference
Improved large-scale liquid-phase synthesis and high-temperature NMR characterization of short -(F-)PNAs
Ploeger, Tobias A.; et al, Helvetica Chimica Acta, 2011, 94(11), 1952-1980

2-(2,4-difluorophenyl)acetic acid Preparation Products

2-(2,4-difluorophenyl)acetic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:81228-09-3)2,4-Difluorophenylacetic acid
Order Number:sfd14938
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:81228-09-3)2,4-Difluorophenylacetic acid
Order Number:LE8299
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:59
Price ($):discuss personally

2-(2,4-difluorophenyl)acetic acid Related Literature

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81228-09-3 (2-(2,4-difluorophenyl)acetic acid) Related Products

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:81228-09-3)2,4-Difluorophenylacetic acid
sfd14938
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:81228-09-3)2,4-Difluorophenylacetic acid
LE8299
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email