2-Amino-3-bromo-5-chlorobenzoic Acid - CAS 41198-02-1
Catalog: |
BB074971 |
Product Name: |
2-Amino-3-bromo-5-chlorobenzoic Acid |
CAS: |
41198-02-1 |
Synonyms: |
2-Amino-3-bromo-5-chloro-benzoic Acid; 3-Bromo-5-chloroanthranilic Acid |
IUPAC Name: | 2-amino-3-bromo-5-chlorobenzoic acid |
Description: | 2-Amino-3-bromo-5-chlorobenzoic Acid is used as a starting material in the synthesis of a series of 3-(2-(2-methoxyphenyl)-2-oxoethyl) quinazolinone derivatives, which showed anticoccidial activity against Eimeria tenella in chicken. |
Molecular Weight: | 250.48 |
Molecular Formula: | C7H5BrClNO2 |
Canonical SMILES: | C1=C(C=C(C(=C1C(=O)O)N)Br)Cl |
InChI: | InChI=1S/C7H5BrClNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12) |
InChI Key: | PWXLBVZWVKCFHR-UHFFFAOYSA-N |
Melting Point: | 234 - 235°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow to Light Beige Solid |
Storage: | -20°C, Inert atmosphere |
References: | Ye, Changwen., et al. Pestic. Biochem. Phys., 97(3), 194-198 (2010). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.91922 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.91922 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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