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1-Bromobutane-d₉ - 99%,98atom%D, high purity , CAS No.98195-36-9
Basic Description
Synonyms
1-Bromobutane-D9 | 1-bromo-1,1,2,2,3,3,4,4,4-nonadeuteriobutane | 1-bromo(?H?)butane | MFCD00142592 | DTXSID80481752 | 1-Bromobutane-d9, 98 atom % D | AKOS030255220 | SCHEMBL14169608 | D98936
Specifications & Purity
≥98 atom% D,≥99%
Storage Temp
Protected from light
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Organobromides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organobromides
Alternative Parents
Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488197974
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488197974
IUPAC Name
1-bromo-1,1,2,2,3,3,4,4,4-nonadeuteriobutane
INCHI
InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3/i1D3,2D2,3D2,4D2
InChIKey
MPPPKRYCTPRNTB-YNSOAAEFSA-N
Smiles
CCCCBr
Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
Molecular Weight
146.07
Reaxy-Rn
1098260
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098260&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive；Moisture sensitive
Boil Point(°C)
100-104 °C (lit.)
Melt Point(°C)
-112 °C (lit.)
Molecular Weight
146.070 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
2
Exact Mass
145.045 Da
Monoisotopic Mass
145.045 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
13.100
Isotope Atom Count
9
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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H2309365