2-(Bromomethyl)acrylic Acid - CAS 72707-66-5
Catalog: |
BB034672 |
Product Name: |
2-(Bromomethyl)acrylic Acid |
CAS: |
72707-66-5 |
Synonyms: |
2-(bromomethyl)-2-propenoic acid; 2-(bromomethyl)prop-2-enoic acid |
IUPAC Name: | 2-(bromomethyl)prop-2-enoic acid |
Description: | Reacts with aldehydes and ketones to form α-methylene-butyrolactones. Used in the synthesis of methotrexate analogues. |
Molecular Weight: | 164.99 |
Molecular Formula: | C4H5BrO2 |
Canonical SMILES: | C=C(CBr)C(=O)O |
InChI: | InChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7) |
InChI Key: | NOOYFQLPKUQDNE-UHFFFAOYSA-N |
Boiling Point: | 268.8 °C at 760 mmHg |
Melting Point: | 70-73 °C (lit.) |
Purity: | 98 % |
Density: | 1.696 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Beige crystalline solid |
Storage: | 2-8 °C |
MDL: | MFCD00004259 |
LogP: | 1.02210 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021195626-A1 | The use of molecularly imprinted polymers for the rapid detection of emerging viral outbreaks | 20200327 |
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PMID | Publication Date | Title | Journal |
20936869 | 20101105 | Stereoselective α,α'-annelation reactions of 1,3-dioxan-5-ones | The Journal of organic chemistry |
Complexity: | 97.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.94729 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.94729 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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