2-Bromobenzaldehyde - CAS 6630-33-7
Catalog: |
BB032980 |
Product Name: |
2-Bromobenzaldehyde |
CAS: |
6630-33-7 |
Synonyms: |
2-bromobenzaldehyde |
IUPAC Name: | 2-bromobenzaldehyde |
Description: | 2-Bromobenzaldehyde (CAS# 6630-33-7) is used in L-threonine aldolase-catalyzed enantio/diastereoselective aldol reactions. |
Molecular Weight: | 185.02 |
Molecular Formula: | C7H5BrO |
Canonical SMILES: | C1=CC=C(C(=C1)C=O)Br |
InChI: | InChI=1S/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5H |
InChI Key: | NDOPHXWIAZIXPR-UHFFFAOYSA-N |
Boiling Point: | 230 °C |
Purity: | 95 % |
Density: | 1.58 g/cm3 |
Appearance: | Clear yellow liquid after melting |
MDL: | MFCD00003300 |
LogP: | 2.26160 |
GHS Hazard Statement: | H315 (100%): 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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PMID | Publication Date | Title | Journal |
23381774 | 20130701 | Biochemical characterization of an alcohol dehydrogenase from Ralstonia sp | Biotechnology and bioengineering |
22590218 | 20120501 | (2E)-3-(2-Bromo-phen-yl)-1-(4,4''-difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22606187 | 20120401 | Methyl 2-(2-bromo-benzyl-idene)-5-(4-hy-droxy-phen-yl)-7-methyl-3-oxo-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
22412627 | 20120301 | rac-7-[(2E)-But-2-eno-yl]-13-chloro-N-cyclo-hexyl-7,8-dihydro-5H-isochromeno[4,3-c]phenanthridine-8-carboxamide | Acta crystallographica. Section E, Structure reports online |
22347365 | 20120101 | Toward new therapeutics for skin and soft tissue infections: propargyl-linked antifolates are potent inhibitors of MRSA and Streptococcus pyogenes | PloS one |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.95238 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.95238 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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