t-Butyl 4-Bromobutyrate - CAS 110661-91-1
Catalog: |
BB002655 |
Product Name: |
t-Butyl 4-Bromobutyrate |
CAS: |
110661-91-1 |
Synonyms: |
4-bromobutanoic acid tert-butyl ester; tert-butyl 4-bromobutanoate |
IUPAC Name: | tert-butyl 4-bromobutanoate |
Description: | t-Butyl 4-Bromobutyrate (CAS# 110661-91-1) is a useful research chemical for organic synthesis and other chemical and pharmaceutical processes. |
Molecular Weight: | 223.11 |
Molecular Formula: | C8H15BrO2 |
Canonical SMILES: | CC(C)(C)OC(=O)CCCBr |
InChI: | InChI=1S/C8H15BrO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6H2,1-3H3 |
InChI Key: | HJEZRYIJNHAIGY-UHFFFAOYSA-N |
Boiling Point: | 225.9 °C at 760 mmHg |
Density: | 1.258 g/cm3 |
MDL: | MFCD00093266 |
LogP: | 3.26560 |
GHS Hazard Statement: | H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.02554 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.02554 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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