Name: 4-Bromobutylaldehyde - ≥98% , CAS No.38694-47-2
SKU: B399771
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Classe	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes
Direct Parent	Alpha-hydrogen aldehydes
Alternative Parents	Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl 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

Structure 3D

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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

Analytical Chart:

Propriétés chimiques et physiques

Poids moléculaire	151.000 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	149.968 Da
Monoisotopic Mass	149.968 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	36.500
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

Calculateurs de solution

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Avis

Sourires canoniques	C(CC=O)CBr
IUPAC Name	4-bromobutanal
InChIKey	GMZBZKVJMOEKGM-UHFFFAOYSA-N
INCHI	1S/C4H7BrO/c5-3-1-2-4-6/h4H,1-3H2
Isomères SMILES	C(CC=O)CBr
Poids moléculaire	151
Reaxy-Rn	1098470
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098470&ln=

4-Bromobutylaldehyde - ≥98% , CAS No.38694-47-2

Specifications