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1-Bromo-4-butylbenzene - 97%, high purity , CAS No.41492-05-1

COA

Grade & Purity:

≥97%

Cas Number: 41492-05-1
Molecular Weight: 213.11
Beilstein Registry Number: 5(4)1035
MDL number: MFCD00040934
PubChem CID: 521059
PubChem SID: 504759083

In stock

Item Number

B115516

Grouped product items
SKU	Size	Availability	Price
B115516-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$14.90
B115516-25g	25g	3	$25.90
B115516-100g	100g	10	$92.90
B115516-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$415.90

View related series

Aryl halide (118) Non heterocyclic block (8163)

Basic Description

Synonyms	4-(butyl)phenylbromide \| EN300-91217 \| 1-Bromo-4-butylbenzene # \| AMY13506 \| 1-bromo-4-butyl benzene \| FT-0607510 \| 1-Bromo-4-n-Butylbenzene \| B1907 \| InChI=1/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H \| 1-Bromo-4-butylbenzene \| 2-AMINOMETHYL-3-(3
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	Phosphite or phosphine oxide ligand catalyzed Suzuki-Miyaura reaction of 2-pyridyl boron derivatives with 1-bromo-4-butylbenzene has been reported.

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	Bromobenzenes
Alternative Parents	Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
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	504759083
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759083
IUPAC Name	1-bromo-4-butylbenzene
INCHI	InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChIKey	BRGVKVZXDWGJBX-UHFFFAOYSA-N
Smiles	CCCCC1=CC=C(C=C1)Br
Isomeric SMILES	CCCCC1=CC=C(C=C1)Br
WGK Germany	3
Molecular Weight	213.11
Beilstein	5(4)1035
Reaxy-Rn	2080263
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2080263&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
E1211018	Certificate of Analysis	Jun 16, 2025	B115516
I1923061	Certificate of Analysis	Jan 17, 2025	B115516
A2218189	Certificate of Analysis	Oct 12, 2023	B115516
A2218171	Certificate of Analysis	Oct 12, 2023	B115516
A2218187	Certificate of Analysis	Oct 12, 2023	B115516
A2218188	Certificate of Analysis	Oct 12, 2023	B115516

Chemical and Physical Properties

Refractive Index	1.53
Flash Point(°F)	226.4 °F
Flash Point(°C)	108°
Boil Point(°C)	242°C
Molecular Weight	213.110 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	212.02 Da
Monoisotopic Mass	212.02 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	93.000
Isotope Atom Count	0
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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