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1-Chloro-4-(1,3-dibromopropyl)benzene - 95%, high purity , CAS No.19714-76-2

COA

Grade & Purity:

≥95%

Cas Number: 19714-76-2
Molecular Weight: 312.4
PubChem CID: 11255421

In stock

Item Number

C182481

Grouped product items
SKU	Size	Availability	Price	Qty
C182481-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,271.90
C182481-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,925.90

Basic Description

Synonyms	1-chloro-4-(1,3-dibromopropyl)benzene \| 19714-76-2 \| Benzene, 1-chloro-4-(1,3-dibromopropyl)- \| DTXSID60460323 \| MFCD18311887 \| AKOS015850315 \| BS-21899
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Aryl chlorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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	1-chloro-4-(1,3-dibromopropyl)benzene
INCHI	InChI=1S/C9H9Br2Cl/c10-6-5-9(11)7-1-3-8(12)4-2-7/h1-4,9H,5-6H2
InChIKey	MDVDJKHFXPAGRX-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(CCBr)Br)Cl
Isomeric SMILES	C1=CC(=CC=C1C(CCBr)Br)Cl
Molecular Weight	312.4
Reaxy-Rn	2256190
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2256190&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	312.430 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	311.874 Da
Monoisotopic Mass	309.876 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	122.000
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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