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2-Bromoheptane - technical grade, high purity , CAS No.1974-04-5

COA

Grade & Purity:

technical grade

Cas Number: 1974-04-5
Molecular Weight: 179.1
Beilstein Registry Number: 1731556
MDL number: MFCD00000164
PubChem CID: 16090

In stock

Item Number

B476810

Grouped product items
SKU	Size	Availability	Price	Qty
B476810-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$186.90
B476810-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$605.90

Basic Description

Synonyms	2-Heptyl bromide \| (1-methyl)hexylbromide \| 2-BROMOHEPTANE \| (1-methyl) hexylbromide \| NSC11768 \| NSC-11768 \| Heptane, 2-bromo- \| 1-Methylhexyl bromide \| 2-bromanylheptane \| 6-bromoheptane \| A813910 \| DTXSID40870921 \| AKOS009157870 \| EINECS 217-824-3 \| J-
Specifications & Purity	technical grade
Grade	technical grade
Product Description	Description 2-Bromoheptane has been used in the preparation of:racemic alcohol, 2-methylheptanolglutathione (GSH) derivativesGSH analog that contains tetrazole isostere (Tet-sHep)

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

IUPAC Name	2-bromoheptane
INCHI	InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
InChIKey	HLAUCEOFCOXKNF-UHFFFAOYSA-N
Smiles	CCCCCC(C)Br
Isomeric SMILES	CCCCCC(C)Br
UN Number	1993C
Molecular Weight	179.1
Beilstein	1731556
Reaxy-Rn	1731556
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731556&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	n20/D 1.447 (lit.)
Flash Point(°F)	129.2 °F - closed cup
Flash Point(°C)	54 °C - closed cup
Boil Point(°C)	64-66℃/21mmHg (lit.)
Molecular Weight	179.100 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	178.036 Da
Monoisotopic Mass	178.036 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	43.700
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

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