2-Bromopropionamide - CAS 5875-25-2
Catalog: |
BB030151 |
Product Name: |
2-Bromopropionamide |
CAS: |
5875-25-2 |
Synonyms: |
2-bromopropanamide |
IUPAC Name: | 2-bromopropanamide |
Description: | 2-Bromopropionamide (CAS# 5875-25-2) is a reagent used in the preparation of arylamines via amination of phenols, synthesis of phenylurea derivatives as potent antitumor agents.. |
Molecular Weight: | 151.99 |
Molecular Formula: | C3H6BrNO |
Canonical SMILES: | CC(C(=O)N)Br |
InChI: | InChI=1S/C3H6BrNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6) |
InChI Key: | AUHYZQCEIVEMFH-UHFFFAOYSA-N |
Boiling Point: | 248.3 ℃ at 760 mmHg |
Density: | 1.644 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00012376 |
LogP: | 0.95540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19928804 | 20100101 | Experimental reactivity parameters for toxicity modeling: application to the acute aquatic toxicity of SN2 electrophiles to Tetrahymena pyriformis | Chemical research in toxicology |
Complexity: | 63.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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