Basic Description

Synonyms	FT-0606384 \| Q27258857 \| 1,2-DICHLOROBUTANE [HSDB] \| NCGC00248540-01 \| NCGC00257701-01 \| 45N8M9T967 \| CAS-616-21-7 \| InChI=1/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3 \| DTXSID8027244 \| Butane,2-dichloro- \| DL-1,2-DICHLOROBUTANE \| 1,2-Butylene chloride \| PQBOTZNY
Specifications & Purity	≥96%
Shipped In	Normal
Product Description	Product Describtion: 1,2-Dichlorobutane causes the alkylation of benzene using aluminium chloride or liquid hydrogen fluoride as catalyst. Product Application: 1,2-Dichlorobutane was used to evaluate temperature-composition phase diagrams of binary mixtures composed of a haloalkane dissolved in either 1-ethyl-3-methylimidazolium ethylsulfate or 1-ethyl-3-methylimidazolium ethylsulfonate.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Organochlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Organochlorides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organochlorides
Alternative Parents	Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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	504752242
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752242
IUPAC Name	1,2-dichlorobutane
INCHI	InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3
InChIKey	PQBOTZNYFQWRHU-UHFFFAOYSA-N
Smiles	CCC(CCl)Cl
Isomeric SMILES	CCC(CCl)Cl
WGK Germany	3
Molecular Weight	127.01
Beilstein	1(4)250
Reaxy-Rn	1731376
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731376&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
E2308788	Certificate of Analysis	Apr 04, 2023	D155318
E2308783	Certificate of Analysis	Apr 04, 2023	D155318
E2308782	Certificate of Analysis	Apr 04, 2023	D155318
E2308741	Certificate of Analysis	Apr 04, 2023	D155318
E2308785	Certificate of Analysis	Apr 04, 2023	D155318
E2308754	Certificate of Analysis	Apr 04, 2023	D155318
E2308786	Certificate of Analysis	Apr 04, 2023	D155318
E2308809	Certificate of Analysis	Apr 04, 2023	D155318

Chemical and Physical Properties

Refractive Index	1.44
Flash Point(°F)	80.6 °F
Flash Point(°C)	27°C(lit.)
Boil Point(°C)	124°C
Molecular Weight	127.010 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	126 Da
Monoisotopic Mass	126 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	28.700
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Hongbin Ju, Lizhi Zhang, Heqin Guo, Litao Jia, Bo Hou, Debao Li, Tao Geng. (2024) Design of Organic–Inorganic Phase Transfer Hybrid Catalyst and Its Application in the Epoxidation of α-Olefins. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 63 (18): (8089-8101).

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SKU	Size	Availability	Price
D155318-1g	1g	3	$9.90
D155318-5g	5g	5	$13.90
D155318-25g	25g	3	$26.90
D155318-100g	100g	2	$95.90

1,2-Dichlorobutane - 96%, high purity , CAS No.616-21-7