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3-Bromobenzyl bromide - ≥95.0%(GC), high purity , CAS No.823-78-9

COA

Grade & Purity:

≥95%(GC)

Cas Number: 823-78-9
Molecular Weight: 249.93
Beilstein Registry Number: 5(4)836
MDL number: MFCD00000176
PubChem CID: 69979
PubChem SID: 504754471

In stock

Item Number

B135903

Grouped product items
SKU	Size	Availability	Price
B135903-5g	5g	10	$14.90
B135903-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
B135903-25g	25g	10	$31.90
B135903-100g	100g	4	$112.90
B135903-250g	250g	1	$253.90
B135903-500g	500g	1	$457.90

View related series

Aryl halide (118) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 212-519-1 \| STL185586 \| BCP27924 \| EN300-21107 \| MFCD00000176 \| 1-Bromo-3-(bromomethyl)benzene \| 3-bromobenzylbromide \| 3-bromo-benzylbromide \| alpha,3-Dibromotoluene \| AM20041204 \| 3-Bromobenzyl bromide, 99% \| .alpha.,m-Dibromotoluene \| 1-bromo-3-
Specifications & Purity	≥95%(GC)
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.
Product Description	3-Bromobenzyl bromide undergoes reduction with diethylzinc in the presence of Pd(PPh3)4 to yield corresponding hydrocarbon. Usually used in the synthesis of 1,7-di(3-bromobenzyl)cyclen,substituted 8-arylquinoline, phosphodiesterase 4 (PDE4) inhibitors.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl bromides
Alternative Parents	Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl bromide - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
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	504754471
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754471
IUPAC Name	1-bromo-3-(bromomethyl)benzene
INCHI	InChI=1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey	ZPCJPJQUVRIILS-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)Br)CBr
Isomeric SMILES	C1=CC(=CC(=C1)Br)CBr
WGK Germany	3
Molecular Weight	249.93
Beilstein	5(4)836
Reaxy-Rn	2078683
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078683&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.

11 results found

Lot Number	Certificate Type	Date	Item
C2318771	Certificate of Analysis	Jan 09, 2025	B135903
C2318791	Certificate of Analysis	Jan 09, 2025	B135903
C2318793	Certificate of Analysis	Jan 09, 2025	B135903
C2318774	Certificate of Analysis	Jan 09, 2025	B135903
C2318776	Certificate of Analysis	Jan 09, 2025	B135903
C2318770	Certificate of Analysis	Jan 09, 2025	B135903
C2318777	Certificate of Analysis	Jan 09, 2025	B135903
C2318779	Certificate of Analysis	Jan 09, 2025	B135903
C2318786	Certificate of Analysis	Jan 09, 2025	B135903
H1624067	Certificate of Analysis	Feb 21, 2024	B135903
G1824284	Certificate of Analysis	Apr 14, 2022	B135903

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Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Moisture sensitive
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	135 °C/18 mmHg
Melt Point(°C)	42 °C
Molecular Weight	249.930 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	249.882 Da
Monoisotopic Mass	247.884 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.000
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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