2-Bromoethyl acetate - CAS 927-68-4
Catalog: |
BB040612 |
Product Name: |
2-Bromoethyl acetate |
CAS: |
927-68-4 |
Synonyms: |
2-bromoethyl acetate |
IUPAC Name: | 2-bromoethyl acetate |
Description: | 2-Bromoethyl acetate (CAS# 927-68-4) is a versatile building block used in the synthesis of chemical compounds. |
Molecular Weight: | 167.00 |
Molecular Formula: | C4H7BrO2 |
Canonical SMILES: | CC(=O)OCCBr |
InChI: | InChI=1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3 |
InChI Key: | RGHQKFQZGLKBCF-UHFFFAOYSA-N |
Boiling Point: | 159 °C |
Density: | 1.514 g/mL at 25 °C (lit.) |
MDL: | MFCD00000235 |
LogP: | 0.94440 |
GHS Hazard Statement: | H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 62.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.96294 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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