Cas no 101080-36-8 (methyl 2-amino-3-bromo-5-chlorobenzoate)

Methyl 2-amino-3-bromo-5-chlorobenzoate is a halogenated benzoate ester with a molecular formula of C?H?BrClNO?. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of both amino and halogen substituents (bromo and chloro) enhances its reactivity, enabling selective functionalization for constructing complex heterocycles or active pharmaceutical ingredients (APIs). Its ester group offers stability while allowing further derivatization under mild conditions. The compound’s well-defined structure and high purity make it suitable for precision synthesis. Proper handling is advised due to potential sensitivity to moisture and light. Store in a cool, dry environment under inert conditions.
methyl 2-amino-3-bromo-5-chlorobenzoate structure
101080-36-8 structure
Product Name:methyl 2-amino-3-bromo-5-chlorobenzoate
CAS No:101080-36-8
MF:C8H7BrClNO2
MW:264.503680467606
MDL:MFCD07780733
CID:1127845
PubChem ID:28332427
Update Time:2025-06-07

methyl 2-amino-3-bromo-5-chlorobenzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-amino-3-bromo-5-chloro-benzoate
    • Methyl 2-amino-3-bromo-5-chlorobenzoate
    • LogP
    • Benzoic acid, 2-aMino-3-broMo-5-chloro-, Methyl ester
    • 2-Amino-3-bromo-5-chloro-benzoic acid methyl ester
    • DB-430776
    • CS-0372472
    • DTXSID401215034
    • 101080-36-8
    • E82759
    • AKOS002677362
    • SCHEMBL19776258
    • EN300-2008400
    • BEA08036
    • methyl 2-amino-3-bromo-5-chlorobenzoate
    • MDL： MFCD07780733
    • Inchi： 1S/C8H7BrClNO2/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3H,11H2,1H3
    • InChI Key： QKQDVOQJMQIBNN-UHFFFAOYSA-N
    • SMILES： BrC1=CC(=CC(C(=O)OC)=C1N)Cl

Computed Properties

  • Exact Mass: 262.93491
  • Monoisotopic Mass: 262.93487g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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
  • XLogP3: 3
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.32

methyl 2-amino-3-bromo-5-chlorobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
Y1256463-250mg
Benzoic acid, 2-aMino-3-broMo-5-chloro-, Methyl ester
 101080-36-8 97%
250mg
 $65 2024-06-06
eNovation Chemicals LLC
Y1256463-1g
Benzoic acid, 2-aMino-3-broMo-5-chloro-, Methyl ester
 101080-36-8 97%
1g
 $110 2024-06-06
eNovation Chemicals LLC
Y1256463-5g
Benzoic acid, 2-aMino-3-broMo-5-chloro-, Methyl ester
 101080-36-8 97%
5g
 $305 2024-06-06
Enamine
EN300-2008400-1g
methyl 2-amino-3-bromo-5-chlorobenzoate
 101080-36-8
1g
 $428.0 2023-09-16
Enamine
EN300-2008400-5g
methyl 2-amino-3-bromo-5-chlorobenzoate
 101080-36-8
5g
 $1240.0 2023-09-16
Enamine
EN300-2008400-10g
methyl 2-amino-3-bromo-5-chlorobenzoate
 101080-36-8
10g
 $1839.0 2023-09-16
Enamine
EN300-2008400-0.05g
methyl 2-amino-3-bromo-5-chlorobenzoate
 101080-36-8
0.05g
 $359.0 2023-09-16
Enamine
EN300-2008400-0.1g
methyl 2-amino-3-bromo-5-chlorobenzoate
 101080-36-8
0.1g
 $376.0 2023-09-16
Enamine
EN300-2008400-0.25g
methyl 2-amino-3-bromo-5-chlorobenzoate
 101080-36-8
0.25g
 $393.0 2023-09-16
Enamine
EN300-2008400-0.5g
methyl 2-amino-3-bromo-5-chlorobenzoate
 101080-36-8
0.5g
 $410.0 2023-09-16

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