3-Bromopropionyl chloride - CAS 15486-96-1
Catalog: |
BB011066 |
Product Name: |
3-Bromopropionyl chloride |
CAS: |
15486-96-1 |
Synonyms: |
3-bromopropanoyl chloride |
IUPAC Name: | 3-bromopropanoyl chloride |
Description: | 3-Bromopropionyl chloride (CAS# 15486-96-1) is a versatile building blcok used in the synthesis of carbonyl compounds. |
Molecular Weight: | 171.42 |
Molecular Formula: | C3H4BrClO |
Canonical SMILES: | C(CBr)C(=O)Cl |
InChI: | InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2 |
InChI Key: | IHBVNSPHKMCPST-UHFFFAOYSA-N |
Boiling Point: | 55-57 °C (17 mmHg) |
Purity: | 95 % |
Density: | 1.7 g/cm3 |
Appearance: | Clear yellow liquid |
Storage: | Refrigerator |
MDL: | MFCD00000746 |
LogP: | 1.53680 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21202050 | 20080305 | (E)-1-(Pyridin-2-yl)ethanone O-acryloyloxime | Acta crystallographica. Section E, Structure reports online |
Complexity: | 54.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.91341 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.91341 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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