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1-Bromo-2-propanol (contains ca. 20% 2-Bromo-1-propanol) - >75.0%(GC)(stabilized with MgO), high purity , CAS No.19686-73-8
Basic Description
Synonyms
Propylene Bromohydrin (contains ca. 20% 2-Bromo-1-propanol)
Specifications & Purity
≥75%(GC), stabilized with MgO
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Conformational isomerism of 1-bromo-2-propanol has been investigated by NMR spectroscopy
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Halohydrins
Subclass
Bromohydrins
Intermediate Tree Nodes
Not available
Direct Parent
Bromohydrins
Alternative Parents
Secondary alcohols Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Secondary alcohol - Bromohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Alkyl halide - Alkyl bromide - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as bromohydrins. These are alcohols substituted by a bromine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
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
488183104
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488183104
IUPAC Name
1-bromopropan-2-ol
INCHI
InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKey
WEGOLYBUWCMMMY-UHFFFAOYSA-N
Smiles
CC(CBr)O
Isomeric SMILES
CC(CBr)O
WGK Germany
3
RTECS
UA7388000
UN Number
1993
Packing Group
I
Molecular Weight
138.99
Reaxy-Rn
1071195
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071195&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
heat sensitive,air sensitive
Refractive Index
1.48
Flash Point(°F)
109.4 °F
Flash Point(°C)
54°C(lit.)
Molecular Weight
138.990 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
137.968 Da
Monoisotopic Mass
137.968 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
22.900
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Chi Mingfang, Ke Jingwen, Liu Yan, Wei Miaojin, Li Hongliang, Zhao Jiankang, Zhou Yuxuan, Gu Zhenhua, Geng Zhigang, Zeng Jie.
(2024)
Spatial decoupling of bromide-mediated process boosts propylene oxide electrosynthesis. Nature Communications,
15
(1):
(1-8).
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1 Citations
L2123256