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3-Bromobenzaldehyde Diethyl Acetal - 98%, high purity , CAS No.75148-49-1

COA

Grade & Purity:

≥98%

Cas Number: 75148-49-1
Molecular Weight: 259.14
Beilstein Registry Number: 6392356
MDL number: MFCD01075697
PubChem CID: 2733543
PubChem SID: 488192409

In stock

Item Number

B120322

Grouped product items
SKU	Size	Availability	Price
B120322-5g	5g	4	$24.90
B120322-25g	25g	5	$85.90
B120322-100g	100g	3	$309.90

Basic Description

Synonyms	FT-0615192 \| SCHEMBL3141582 \| 3-Bromobenzaldehyde diethyl acetal \| AKOS005207057 \| Benzene, 1-bromo-3-(diethoxymethyl)- \| I12060 \| DTXSID10369933 \| B3822 \| KDHRJLQXMOBXRV-UHFFFAOYSA-N \| AS-61335 \| InChI=1/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	3-Bromobenzaldehyde diethyl acetal is an acetal derivative of 3-bromobenzaldehyde. Application： 3-Bromobenzaldehyde diethyl acetal may be used in the preparation of 3-(tris[2-perfluorohexylethyl]stannyl)benzaldehyde.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzylethers
Intermediate Tree Nodes	Not available
Direct Parent	Benzylethers
Alternative Parents	Bromobenzenes Aryl bromides Acetals Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylether - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
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	488192409
IUPAC Name	1-bromo-3-(diethoxymethyl)benzene
INCHI	InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-8,11H,3-4H2,1-2H3
InChIKey	KDHRJLQXMOBXRV-UHFFFAOYSA-N
Smiles	CCOC(C1=CC(=CC=C1)Br)OCC
Isomeric SMILES	CCOC(C1=CC(=CC=C1)Br)OCC
WGK Germany	3
Molecular Weight	259.14
Beilstein	6392356
Reaxy-Rn	6392356
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6392356&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
J2220170	Certificate of Analysis	Jul 18, 2024	B120322
J2220171	Certificate of Analysis	Jul 18, 2024	B120322
J2220180	Certificate of Analysis	Jul 18, 2024	B120322
J2220172	Certificate of Analysis	Jul 18, 2024	B120322
L2118008	Certificate of Analysis	Sep 21, 2023	B120322
L2118007	Certificate of Analysis	Sep 21, 2023	B120322

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.514
Flash Point(°F)	219°F
Flash Point(°C)	104°C
Boil Point(°C)	88-91°C/0.8mm
Molecular Weight	259.140 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	258.026 Da
Monoisotopic Mass	258.026 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	146.000
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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