1-Bromo-2-butanone - CAS 816-40-0
Catalog: |
BB036683 |
Product Name: |
1-Bromo-2-butanone |
CAS: |
816-40-0 |
Synonyms: |
1-bromobutan-2-one |
IUPAC Name: | 1-bromobutan-2-one |
Description: | 1-Bromo-2-butanone (CAS# 816-40-0) is a useful research chemical. |
Molecular Weight: | 151.00 |
Molecular Formula: | C4H7BrO |
Canonical SMILES: | CCC(=O)CBr |
InChI: | InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3 |
InChI Key: | CCXQVBSQUQCEEO-UHFFFAOYSA-N |
Boiling Point: | 105 °C (150 torr) |
Purity: | 98 % |
Density: | 1.479 g/cm3 |
Appearance: | Colorless to light yellow liquid |
MDL: | MFCD00000207 |
LogP: | 1.36040 |
GHS Hazard Statement: | H302 (90.91%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22590398 | 20120501 | Ethyl 2-(4-nitro-phen-oxy)acetate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 51.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.96803 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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