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101916-69-2

101916-69-2 | Propane, 1,2-dibromo-, (2R)- (9CI)

CAS No: 101916-69-2 Catalog No: AG0005YH MDL No:

Product Description

Catalog Number:
AG0005YH
Chemical Name:
Propane, 1,2-dibromo-, (2R)- (9CI)
CAS Number:
101916-69-2
Molecular Formula:
C3H6Br2
Molecular Weight:
201.8877
IUPAC Name:
1,2-dibromopropane
InChI:
InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3
InChI Key:
XFNJYAKDBJUJAJ-UHFFFAOYSA-N
SMILES:
BrC[C@H](Br)C
EC Number:
201-139-1
UN Number:
1993

Properties

Complexity:
20.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.882g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.889g/mol
Monoisotopic Mass:
199.884g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

Title Journal
Optimization and development of analytical methods for the determination of new brominated flame retardants and polybrominated diphenyl ethers in sediments and suspended particulate matter. Analytical and bioanalytical chemistry 20110501
4-Oxo-1,4-dihydro-benzo[h][1,3]thia-zeto[3,2-a]quinoline-1,3-dicarb-oxy-lic acid. Acta crystallographica. Section E, Structure reports online 20110201
Vibrational spectrum, ab initio calculations, conformational stabilities and assignment of fundamentals of 1,2-dibromopropane. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091015
Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate. Nature chemical biology 20091001
Direct observation of the primary and secondary C-Br bond cleavages from the 1,2-dibromopropane photodissociation at 234 and 265 nm using the velocity map ion imaging technique. The journal of physical chemistry. A 20081002
Enantiomeric discrimination of 1,1'-binaphthol by room temperature phosphorimetry using gamma-cyclodextrin as chiral selector. Analytica chimica acta 20080801
[Research concerning rutin semisynthetic derivatives. Synthesis, physico-chemical and microbiological characterisation of some new rutin-isoniazid derivatives]. Revista medico-chirurgicala a Societatii de Medici si Naturalisti din Iasi 20080101
[Analysis of haloacetic acids in drinking water by gas chromatography-mass spectrometry]. Se pu = Chinese journal of chromatography 20060101
Identification of glutathione conjugates and mercapturic acids of 1,2-dibromopropane in female BALB/c mice by liquid chromatography-electrospray ionization tandem mass spectrometry. Xenobiotica; the fate of foreign compounds in biological systems 20050101
Metabolism and mutagenicity of source water contaminants 1,3-dichloropropane and 2,2-dichloropropane. Drug metabolism and disposition: the biological fate of chemicals 20040101
Acute effects of 2-bromopropane and 1,2-dibromopropane on hepatotoxic and immunotoxic parameters in female BALB/c mice. Archives of pharmacal research 20031101
Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates. Biochemistry 20030902

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