Cas no 66046-42-2 (3-(4-chlorophenyl)isoxazol-5-ylmethylamine)

3-(4-Chlorophenyl)isoxazol-5-ylmethylamine is a versatile intermediate in organic synthesis, characterized by its isoxazole core functionalized with a 4-chlorophenyl group and an aminomethyl substituent. This compound is particularly valuable in medicinal chemistry and agrochemical research due to its structural motif, which is frequently employed in the development of bioactive molecules. The chlorophenyl moiety enhances lipophilicity, while the isoxazole ring contributes to metabolic stability. Its reactive amine group allows for further derivatization, enabling the synthesis of a wide range of derivatives. The compound’s well-defined purity and stability make it a reliable building block for pharmaceutical and material science applications.
3-(4-chlorophenyl)isoxazol-5-ylmethylamine structure
66046-42-2 structure
Product Name:3-(4-chlorophenyl)isoxazol-5-ylmethylamine
CAS No:66046-42-2
MF:C10H9ClN2O
MW:208.64426112175
MDL:MFCD01935956
CID:963068
PubChem ID:2764163
Update Time:2025-05-28

3-(4-chlorophenyl)isoxazol-5-ylmethylamine Chemical and Physical Properties

Names and Identifiers

    • (3-(4-Chlorophenyl)isoxazol-5-yl)methanamine
    • [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine
    • [3-(4-Chlorophenyl)-5-isoxazolyl]methanamine
    • 3-(4-CHLOROPHENYL)-5-ISOXAZOLYL]METHANAMINE
    • {[3-(4-chlorophenyl)isoxazol-5-yl]methyl}amine
    • 3-p-chlorophenyl-5-aminomethyl-isoxazole
    • 5-aminomethyl-3-(4-chlorophenyl)isoxazole
    • 5-aminomethyl-3-p-chlorophenylisoxazole
    • chlorophenylisoxazolylmethanamine
    • [3-(4-chlorophenyl)-5-isoxazolyl]methanamine, AldrichCPR
    • G23341
    • 66046-42-2
    • STK506105
    • 6M-343S
    • 1-[3-(4-chlorophenyl)-5-isoxazolyl]methanamine
    • US11634391, Compound 167
    • TWDAWKIAUQCSLF-UHFFFAOYSA-N
    • MFCD01935956
    • SCHEMBL2900978
    • J-501075
    • DTXSID10377331
    • BDBM600923
    • [3-(Chlorophenyl)-5-isoxazolyl]methanamine
    • EN300-232372
    • 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine
    • CS-0241325
    • AKOS005070846
    • [3-(4-chlorophenyl)isoxazol-5-yl]methylamine
    • 3-(4-chlorophenyl)isoxazol-5-ylmethylamine
    • MDL： MFCD01935956
    • Inchi： 1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5H,6,12H2
    • InChI Key： TWDAWKIAUQCSLF-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1)C1C=C(CN)ON=1

Computed Properties

  • Exact Mass: 208.04000
  • Monoisotopic Mass: 208.04
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 183
  • 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
  • Topological Polar Surface Area: 52A^2
  • XLogP3: 1.6

Experimental Properties

  • Color/Form: NA
  • Density: 1.282
  • Melting Point: 113-115°C
  • Boiling Point: 369.4°C at 760 mmHg
  • Flash Point: 177.2°C
  • Refractive Index: 1.585
  • PSA: 52.05000
  • LogP: 3.15400

3-(4-chlorophenyl)isoxazol-5-ylmethylamine Security Information

3-(4-chlorophenyl)isoxazol-5-ylmethylamine Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(4-chlorophenyl)isoxazol-5-ylmethylamine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM275251-5g
(3-(4-Chlorophenyl)isoxazol-5-yl)methanamine
 66046-42-2 95%
5g
 $497 2021-08-18
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C612308-50mg
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 $ 50.00 2022-04-01
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C612308-100mg
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 $ 70.00 2022-04-01
TRC
C612308-500mg
[3-(4-chlorophenyl)isoxazol-5-yl]methylamine
 66046-42-2
500mg
 $ 275.00 2022-04-01
Apollo Scientific
OR32994-1g
[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]methanamine
 66046-42-2 95%
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 ￡690.00 2023-09-02
Chemenu
CM275251-1g
(3-(4-Chlorophenyl)isoxazol-5-yl)methanamine
 66046-42-2 95%
1g
 $*** 2023-05-29
abcr
AB156777-250 mg
[3-(4-Chlorophenyl)-5-isoxazolyl]methanamine, 95%; .
 66046-42-2 95%
250 mg
 €204.20 2023-07-20
abcr
AB156777-500 mg
[3-(4-Chlorophenyl)-5-isoxazolyl]methanamine; 95%
 66046-42-2
500MG
 €264.80 2022-03-05
abcr
AB156777-1 g
[3-(4-Chlorophenyl)-5-isoxazolyl]methanamine, 95%; .
 66046-42-2 95%
1 g
 €304.50 2023-07-20
abcr
AB156777-5 g
[3-(4-Chlorophenyl)-5-isoxazolyl]methanamine; 95%
 66046-42-2
5g
 €752.70 2022-03-05

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