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1-Bromohexane-d₁₃ - 98%，98atom%D, high purity , CAS No.130131-94-1

COA

Grade & Purity:

≥98 atom% D,≥98%

Cas Number: 130131-94-1
Molecular Weight: 178.15
MDL number: MFCD00142597
PubChem CID: 16213277
PubChem SID: 504768221

In stock

Item Number

B471923

Grouped product items
SKU	Size	Availability	Price	Qty
B471923-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90
B471923-250mg	250mg	1	$1,001.90

Basic Description

Synonyms	1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexane \| 1-Bromohexane-d13, 98 atom % D \| DTXSID50583838 \| 1-Bromohexane-d13 \| D99561 \| 1-bromo(?H??)hexane \| AKOS015910699 \| 1-Bromo(~2~H_13_)hexane \| J-005752
Specifications & Purity	≥98 atom% D,≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Organobromides

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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504768221
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768221
IUPAC Name	1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexane
INCHI	InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2
InChIKey	MNDIARAMWBIKFW-UTBWLCBWSA-N
Smiles	CCCCCCBr
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
UN Number	1993C
Molecular Weight	178.15
Reaxy-Rn	1731290
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731290&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
H2302523	Certificate of Analysis	Jul 13, 2023	B471923
H2303493	Certificate of Analysis	Jul 13, 2023	B471923

Chemical and Physical Properties

Refractive Index	n20/D 1.4475 (lit.)
Flash Point(°F)	134.6 °F - closed cup
Flash Point(°C)	57 °C - closed cup
Boil Point(°C)	154-158℃ (lit.)
Melt Point(°C)	−85℃ (lit.)
Molecular Weight	178.150 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	177.102 Da
Monoisotopic Mass	177.102 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	27.400
Isotope Atom Count	13
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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