2-Bromocyclohexanone - CAS 822-85-5
Catalog: |
BB036784 |
Product Name: |
2-Bromocyclohexanone |
CAS: |
822-85-5 |
Synonyms: |
2-bromocyclohexan-1-one |
IUPAC Name: | 2-bromocyclohexan-1-one |
Description: | 2-Bromocyclohexanone (CAS# 822-85-5) is a useful research chemical. |
Molecular Weight: | 177.04 |
Molecular Formula: | C6H9BrO |
Canonical SMILES: | C1CCC(=O)C(C1)Br |
InChI: | InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2 |
InChI Key: | KDXYEWRAWRZXFT-UHFFFAOYSA-N |
Boiling Point: | 210.544 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.509 g/cm3 |
MDL: | MFCD09033417 |
LogP: | 1.89300 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112126052-A | Functionalized diblock copolymer and preparation method and application thereof | 20200925 |
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US-2020017461-A1 | 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof | 20180710 |
WO-2020012334-A1 | 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and their use in the treatment of ikaros family zinc finger 2 (ikzf2)-dependent diseases | 20180710 |
PMID | Publication Date | Title | Journal |
19090496 | 20090401 | On the (4)J(HH) long-range coupling in 2-bromocyclohexanone: conformational insights | Magnetic resonance in chemistry : MRC |
12736064 | 20030601 | The utility of infrared spectroscopy for quantitative conformational analysis at a single temperature | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.98368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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