Cas no 20766-36-3 ((E)-4-(3-Chloro-phenyl)-but-3-en-2-one)

(E)-4-(3-Chloro-phenyl)-but-3-en-2-one structure
20766-36-3 structure
Product Name:(E)-4-(3-Chloro-phenyl)-but-3-en-2-one
CAS No:20766-36-3
MF:C10H9ClO
MW:180.630861997604
MDL:MFCD00052851
CID:88221
PubChem ID:5373975
Update Time:2025-04-18

(E)-4-(3-Chloro-phenyl)-but-3-en-2-one Chemical and Physical Properties

Names and Identifiers

    • 3-Chlorobenzylideneacetone
    • (E)-4-(3-Chloro-phenyl)-but-3-en-2-one
    • 3-chlorobenzalacetone
    • 20766-36-3
    • DTXSID20876244
    • 30626-02-9
    • 3-Chloro-benzalacetone
    • (3E)-4-(3-Chlorophenyl)-3-buten-2-one #
    • EN300-1967852
    • AS-5643
    • MFCD00052851
    • PS-11650
    • 3-Buten-2-one,4-(3-chlorophenyl)-
    • 4-(3-chlorophenyl)but-3-en-2-one
    • VWEPXSRBBXPYSM-AATRIKPKSA-N
    • CS-0272024
    • (E)-4-(3-Chlorophenyl)-but-3-en-2-one
    • (E)-4-(3-chlorophenyl)but-3-en-2-one
    • CHEMBL73680
    • AKOS006229163
    • 3-Buten-2-one, 4-(3-chlorophenyl)-
    • (3E)-4-(3-chlorophenyl)but-3-en-2-one
    • (BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCINTRIFLUOROACETATESALT
    • MDL: MFCD00052851
    • Inchi: 1S/C10H9ClO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-7H,1H3/b6-5+
    • InChI Key: VWEPXSRBBXPYSM-AATRIKPKSA-N
    • SMILES: ClC1=CC=CC(/C=C/C(C)=O)=C1

Computed Properties

  • Exact Mass: 180.03400
  • Monoisotopic Mass: 180.034193
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.4
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: Low melting point solid2. density (g/ml, 25/4 ℃)
  • Density: 1.157
  • Boiling Point: 123-125°C 1mm
  • Flash Point: 123-125°C/1mm
  • Refractive Index: 1.577
  • PSA: 17.07000
  • LogP: 2.94220

(E)-4-(3-Chloro-phenyl)-but-3-en-2-one Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

(E)-4-(3-Chloro-phenyl)-but-3-en-2-one Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). 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, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

(E)-4-(3-Chloro-phenyl)-but-3-en-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
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Alichem
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TRC
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$ 50.00 2022-06-06
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$ 65.00 2022-06-06
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$ 95.00 2022-06-06
Apollo Scientific
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£14.00 2023-04-19
Apollo Scientific
OR24012-5g
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£84.00 2025-02-19
Apollo Scientific
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